1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;tert-butyl 4-[6-chloro-2-fluoro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazine-1-carboxylate;6-[6-chloro-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;(2R)-2-ethyl-1-(oxetan-3-yl)pyrrolidine;(2R)-2-ethylpyrrolidine;oxetan-3-one;bis([(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methanol);prop-2-enoyl chloride

C149H190Cl5F13N28O19 — CID 160748007

IUPAC1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;tert-butyl 4-[6-chloro-2-fluoro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazine-1-carboxylate;6-[6-chloro-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;(2R)-2-ethyl-1-(oxetan-3-yl)pyrrolidine;(2R)-2-ethylpyrrolidine;oxetan-3-one;bis([(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methanol);prop-2-enoyl chloride
SMILESC=CC(=O)Cl.C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C3COC3)nc3cc(-c4nc(N)ccc4C(F)(F)F)c(Cl)cc23)CC1.CC[C@@H]1CCCN1.CC[C@@H]1CCCN1C1COC1.Cc1ccc(C(F)(F)F)c(-c2cc3nc(F)nc(N4CCN(C(=O)OC(C)(C)C)CC4)c3cc2Cl)n1.Cc1ccc(C(F)(F)F)c(-c2cc3nc(OC[C@@H]4CCCN4C4COC4)nc(N4CCN(C(=O)OC(C)(C)C)CC4)c3cc2Cl)n1.Nc1ccc(C(F)(F)F)c(-c2cc3nc(OC[C@@H]4CCCN4C4COC4)nc(N4CCCCC4)c3cc2Cl)n1.O=C1COC1.OC[C@@H]1CCCN1C1COC1.OC[C@@H]1CCCN1C1COC1
InChIInChI=1S/C32H38ClF3N6O4.C29H31ClF3N7O3.C27H30ClF3N6O2.C24H24ClF4N5O2.C9H17NO.2C8H15NO2.C6H13N.C3H3ClO.C3H4O2/c1-19-7-8-24(32(34,35)36)27(37-19)22-15-26-23(14-25(22)33)28(40-10-12-41(13-11-40)30(43)46-31(2,3)4)39-29(38-26)45-18-20-6-5-9-42(20)21-16-44-17-21;1-2-25(41)38-8-10-39(11-9-38)27-20-12-22(30)19(26-21(29(31,32)33)5-6-24(34)36-26)13-23(20)35-28(37-27)43-16-17-4-3-7-40(17)18-14-42-15-18;28-21-11-19-22(12-18(21)24-20(27(29,30)31)6-7-23(32)34-24)33-26(35-25(19)36-8-2-1-3-9-36)39-15-16-5-4-10-37(16)17-13-38-14-17;1-13-5-6-16(24(27,28)29)19(30-13)14-12-18-15(11-17(14)25)20(32-21(26)31-18)33-7-9-34(10-8-33)22(35)36-23(2,3)4;1-2-8-4-3-5-10(8)9-6-11-7-9;2*10-4-7-2-1-3-9(7)8-5-11-6-8;1-2-6-4-3-5-7-6;1-2-3(4)5;4-3-1-5-2-3/h7-8,14-15,20-21H,5-6,9-13,16-18H2,1-4H3;2,5-6,12-13,17-18H,1,3-4,7-11,14-16H2,(H2,34,36);6-7,11-12,16-17H,1-5,8-10,13-15H2,(H2,32,34);5-6,11-12H,7-10H2,1-4H3;8-9H,2-7H2,1H3;2*7-8,10H,1-6H2;6-7H,2-5H2,1H3;2H,1H2;1-2H2/t20-;17-;16-;;8-;2*7-;6-;;/m000.1001../s1
InChIKeyRWLCKVAHEBDNHY-HPGJNHJFSA-N
MW3101.57 g/mol
LogP23.66
Rot. Bonds29

About 1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;tert-butyl 4-[6-chloro-2-fluoro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazine-1-carboxylate;6-[6-chloro-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;(2R)-2-ethyl-1-(oxetan-3-yl)pyrrolidine;(2R)-2-ethylpyrrolidine;oxetan-3-one;bis([(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methanol);prop-2-enoyl chloride

1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;tert-butyl 4-[6-chloro-2-fluoro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazine-1-carboxylate;6-[6-chloro-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;(2R)-2-ethyl-1-(oxetan-3-yl)pyrrolidine;(2R)-2-ethylpyrrolidine;oxetan-3-one;bis([(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methanol);prop-2-enoyl chloride (PubChem CID 160748007) has the molecular formula C149H190Cl5F13N28O19 and a molecular weight of 3101.57 g/mol. Its IUPAC name is 1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;tert-butyl 4-[6-chloro-2-fluoro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazine-1-carboxylate;6-[6-chloro-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;(2R)-2-ethyl-1-(oxetan-3-yl)pyrrolidine;(2R)-2-ethylpyrrolidine;oxetan-3-one;bis([(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methanol);prop-2-enoyl chloride.

Molecular Properties

Compound Name1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;tert-butyl 4-[6-chloro-2-fluoro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazine-1-carboxylate;6-[6-chloro-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;(2R)-2-ethyl-1-(oxetan-3-yl)pyrrolidine;(2R)-2-ethylpyrrolidine;oxetan-3-one;bis([(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methanol);prop-2-enoyl chloride
PubChem CID160748007
Molecular FormulaC149H190Cl5F13N28O19
Molecular Weight3101.57 g/mol
Exact Mass3097.30
IUPAC Name1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;tert-butyl 4-[6-chloro-2-fluoro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazine-1-carboxylate;6-[6-chloro-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;(2R)-2-ethyl-1-(oxetan-3-yl)pyrrolidine;(2R)-2-ethylpyrrolidine;oxetan-3-one;bis([(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methanol);prop-2-enoyl chloride
SMILESC=CC(=O)Cl.C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C3COC3)nc3cc(-c4nc(N)ccc4C(F)(F)F)c(Cl)cc23)CC1.CC[C@@H]1CCCN1.CC[C@@H]1CCCN1C1COC1.Cc1ccc(C(F)(F)F)c(-c2cc3nc(F)nc(N4CCN(C(=O)OC(C)(C)C)CC4)c3cc2Cl)n1.Cc1ccc(C(F)(F)F)c(-c2cc3nc(OC[C@@H]4CCCN4C4COC4)nc(N4CCN(C(=O)OC(C)(C)C)CC4)c3cc2Cl)n1.Nc1ccc(C(F)(F)F)c(-c2cc3nc(OC[C@@H]4CCCN4C4COC4)nc(N4CCCCC4)c3cc2Cl)n1.O=C1COC1.OC[C@@H]1CCCN1C1COC1.OC[C@@H]1CCCN1C1COC1
InChIInChI=1S/C32H38ClF3N6O4.C29H31ClF3N7O3.C27H30ClF3N6O2.C24H24ClF4N5O2.C9H17NO.2C8H15NO2.C6H13N.C3H3ClO.C3H4O2/c1-19-7-8-24(32(34,35)36)27(37-19)22-15-26-23(14-25(22)33)28(40-10-12-41(13-11-40)30(43)46-31(2,3)4)39-29(38-26)45-18-20-6-5-9-42(20)21-16-44-17-21;1-2-25(41)38-8-10-39(11-9-38)27-20-12-22(30)19(26-21(29(31,32)33)5-6-24(34)36-26)13-23(20)35-28(37-27)43-16-17-4-3-7-40(17)18-14-42-15-18;28-21-11-19-22(12-18(21)24-20(27(29,30)31)6-7-23(32)34-24)33-26(35-25(19)36-8-2-1-3-9-36)39-15-16-5-4-10-37(16)17-13-38-14-17;1-13-5-6-16(24(27,28)29)19(30-13)14-12-18-15(11-17(14)25)20(32-21(26)31-18)33-7-9-34(10-8-33)22(35)36-23(2,3)4;1-2-8-4-3-5-10(8)9-6-11-7-9;2*10-4-7-2-1-3-9(7)8-5-11-6-8;1-2-6-4-3-5-7-6;1-2-3(4)5;4-3-1-5-2-3/h7-8,14-15,20-21H,5-6,9-13,16-18H2,1-4H3;2,5-6,12-13,17-18H,1,3-4,7-11,14-16H2,(H2,34,36);6-7,11-12,16-17H,1-5,8-10,13-15H2,(H2,32,34);5-6,11-12H,7-10H2,1-4H3;8-9H,2-7H2,1H3;2*7-8,10H,1-6H2;6-7H,2-5H2,1H3;2H,1H2;1-2H2/t20-;17-;16-;;8-;2*7-;6-;;/m000.1001../s1
InChIKeyRWLCKVAHEBDNHY-HPGJNHJFSA-N
XLogP23.66
TPSA497.44 Ų
H-Bond Donors5
H-Bond Acceptors44
Rotatable Bonds29
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003101.57
LogP ≤ 523.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;tert-butyl 4-[6-chloro-2-fluoro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazine-1-carboxylate;6-[6-chloro-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;(2R)-2-ethyl-1-(oxetan-3-yl)pyrrolidine;(2R)-2-ethylpyrrolidine;oxetan-3-one;bis([(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methanol);prop-2-enoyl chloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;tert-butyl 4-[6-chloro-2-fluoro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazine-1-carboxylate;6-[6-chloro-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;(2R)-2-ethyl-1-(oxetan-3-yl)pyrrolidine;(2R)-2-ethylpyrrolidine;oxetan-3-one;bis([(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methanol);prop-2-enoyl chloride?
The IUPAC name of 1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;tert-butyl 4-[6-chloro-2-fluoro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazine-1-carboxylate;6-[6-chloro-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;(2R)-2-ethyl-1-(oxetan-3-yl)pyrrolidine;(2R)-2-ethylpyrrolidine;oxetan-3-one;bis([(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methanol);prop-2-enoyl chloride (CID 160748007) is 1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;tert-butyl 4-[6-chloro-2-fluoro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazine-1-carboxylate;6-[6-chloro-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;(2R)-2-ethyl-1-(oxetan-3-yl)pyrrolidine;(2R)-2-ethylpyrrolidine;oxetan-3-one;bis([(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methanol);prop-2-enoyl chloride.
What is the SMILES notation for 1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;tert-butyl 4-[6-chloro-2-fluoro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazine-1-carboxylate;6-[6-chloro-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;(2R)-2-ethyl-1-(oxetan-3-yl)pyrrolidine;(2R)-2-ethylpyrrolidine;oxetan-3-one;bis([(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methanol);prop-2-enoyl chloride?
The canonical SMILES for 1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;tert-butyl 4-[6-chloro-2-fluoro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazine-1-carboxylate;6-[6-chloro-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;(2R)-2-ethyl-1-(oxetan-3-yl)pyrrolidine;(2R)-2-ethylpyrrolidine;oxetan-3-one;bis([(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methanol);prop-2-enoyl chloride is C=CC(=O)Cl.C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C3COC3)nc3cc(-c4nc(N)ccc4C(F)(F)F)c(Cl)cc23)CC1.CC[C@@H]1CCCN1.CC[C@@H]1CCCN1C1COC1.Cc1ccc(C(F)(F)F)c(-c2cc3nc(F)nc(N4CCN(C(=O)OC(C)(C)C)CC4)c3cc2Cl)n1.Cc1ccc(C(F)(F)F)c(-c2cc3nc(OC[C@@H]4CCCN4C4COC4)nc(N4CCN(C(=O)OC(C)(C)C)CC4)c3cc2Cl)n1.Nc1ccc(C(F)(F)F)c(-c2cc3nc(OC[C@@H]4CCCN4C4COC4)nc(N4CCCCC4)c3cc2Cl)n1.O=C1COC1.OC[C@@H]1CCCN1C1COC1.OC[C@@H]1CCCN1C1COC1.
What is the InChIKey of 1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;tert-butyl 4-[6-chloro-2-fluoro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazine-1-carboxylate;6-[6-chloro-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;(2R)-2-ethyl-1-(oxetan-3-yl)pyrrolidine;(2R)-2-ethylpyrrolidine;oxetan-3-one;bis([(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methanol);prop-2-enoyl chloride?
The InChIKey is RWLCKVAHEBDNHY-HPGJNHJFSA-N. The full InChI is InChI=1S/C32H38ClF3N6O4.C29H31ClF3N7O3.C27H30ClF3N6O2.C24H24ClF4N5O2.C9H17NO.2C8H15NO2.C6H13N.C3H3ClO.C3H4O2/c1-19-7-8-24(32(34,35)36)27(37-19)22-15-26-23(14-25(22)33)28(40-10-12-41(13-11-40)30(43)46-31(2,3)4)39-29(38-26)45-18-20-6-5-9-42(20)21-16-44-17-21;1-2-25(41)38-8-10-39(11-9-38)27-20-12-22(30)19(26-21(29(31,32)33)5-6-24(34)36-26)13-23(20)35-28(37-27)43-16-17-4-3-7-40(17)18-14-42-15-18;28-21-11-19-22(12-18(21)24-20(27(29,30)31)6-7-23(32)34-24)33-26(35-25(19)36-8-2-1-3-9-36)39-15-16-5-4-10-37(16)17-13-38-14-17;1-13-5-6-16(24(27,28)29)19(30-13)14-12-18-15(11-17(14)25)20(32-21(26)31-18)33-7-9-34(10-8-33)22(35)36-23(2,3)4;1-2-8-4-3-5-10(8)9-6-11-7-9;2*10-4-7-2-1-3-9(7)8-5-11-6-8;1-2-6-4-3-5-7-6;1-2-3(4)5;4-3-1-5-2-3/h7-8,14-15,20-21H,5-6,9-13,16-18H2,1-4H3;2,5-6,12-13,17-18H,1,3-4,7-11,14-16H2,(H2,34,36);6-7,11-12,16-17H,1-5,8-10,13-15H2,(H2,32,34);5-6,11-12H,7-10H2,1-4H3;8-9H,2-7H2,1H3;2*7-8,10H,1-6H2;6-7H,2-5H2,1H3;2H,1H2;1-2H2/t20-;17-;16-;;8-;2*7-;6-;;/m000.1001../s1.
What are the key properties of 1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;tert-butyl 4-[6-chloro-2-fluoro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazine-1-carboxylate;6-[6-chloro-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;(2R)-2-ethyl-1-(oxetan-3-yl)pyrrolidine;(2R)-2-ethylpyrrolidine;oxetan-3-one;bis([(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methanol);prop-2-enoyl chloride?
1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;tert-butyl 4-[6-chloro-2-fluoro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazine-1-carboxylate;6-[6-chloro-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;(2R)-2-ethyl-1-(oxetan-3-yl)pyrrolidine;(2R)-2-ethylpyrrolidine;oxetan-3-one;bis([(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methanol);prop-2-enoyl chloride has a molecular weight of 3101.57 g/mol, XLogP of 23.66, 29 rotatable bonds, 5 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;tert-butyl 4-[6-chloro-2-fluoro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]quinazolin-4-yl]piperazine-1-carboxylate;6-[6-chloro-2-[[(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methoxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;(2R)-2-ethyl-1-(oxetan-3-yl)pyrrolidine;(2R)-2-ethylpyrrolidine;oxetan-3-one;bis([(2S)-1-(oxetan-3-yl)pyrrolidin-2-yl]methanol);prop-2-enoyl chloride is sourced from PubChem (CID 160748007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).