1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]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-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;6-[6-chloro-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;bis(2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol);prop-2-enoyl chloride;2-[(2S)-pyrrolidin-2-yl]propan-2-ol

C138H181Cl5F13N27O12 — CID 161246471

IUPAC1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]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-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;6-[6-chloro-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;bis(2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol);prop-2-enoyl chloride;2-[(2S)-pyrrolidin-2-yl]propan-2-ol
SMILESC=CC(=O)Cl.C=CC(=O)N1CCN(c2nc(OC(C)(C)[C@@H]3CCCN3C)nc3cc(-c4nc(N)ccc4C(F)(F)F)c(Cl)cc23)CC1.CC(C)(O)[C@@H]1CCCN1.CN1CCC[C@H]1C(C)(C)O.CN1CCC[C@H]1C(C)(C)O.CN1CCC[C@H]1C(C)(C)Oc1nc(N2CCCCC2)c2cc(Cl)c(-c3nc(N)ccc3C(F)(F)F)cc2n1.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)(C)[C@@H]4CCCN4C)nc(N4CCN(C(=O)OC(C)(C)C)CC4)c3cc2Cl)n1
InChIInChI=1S/C32H40ClF3N6O3.C29H33ClF3N7O2.C27H32ClF3N6O.C24H24ClF4N5O2.2C8H17NO.C7H15NO.C3H3ClO/c1-19-10-11-22(32(34,35)36)26(37-19)20-18-24-21(17-23(20)33)27(41-13-15-42(16-14-41)29(43)45-30(2,3)4)39-28(38-24)44-31(5,6)25-9-8-12-40(25)7;1-5-24(41)39-11-13-40(14-12-39)26-18-15-20(30)17(25-19(29(31,32)33)8-9-23(34)36-25)16-21(18)35-27(37-26)42-28(2,3)22-7-6-10-38(22)4;1-26(2,21-8-7-11-36(21)3)38-25-33-20-15-16(23-18(27(29,30)31)9-10-22(32)34-23)19(28)14-17(20)24(35-25)37-12-5-4-6-13-37;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;2*1-8(2,10)7-5-4-6-9(7)3;1-7(2,9)6-4-3-5-8-6;1-2-3(4)5/h10-11,17-18,25H,8-9,12-16H2,1-7H3;5,8-9,15-16,22H,1,6-7,10-14H2,2-4H3,(H2,34,36);9-10,14-15,21H,4-8,11-13H2,1-3H3,(H2,32,34);5-6,11-12H,7-10H2,1-4H3;2*7,10H,4-6H2,1-3H3;6,8-9H,3-5H2,1-2H3;2H,1H2/t25-;22-;21-;;2*7-;6-;/m000.000./s1
InChIKeyVARXHWWLNQXEKZ-UIVFGUDASA-N
MW2834.38 g/mol
LogP27.22
Rot. Bonds22

About 1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]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-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;6-[6-chloro-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;bis(2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol);prop-2-enoyl chloride;2-[(2S)-pyrrolidin-2-yl]propan-2-ol

1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]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-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;6-[6-chloro-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;bis(2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol);prop-2-enoyl chloride;2-[(2S)-pyrrolidin-2-yl]propan-2-ol (PubChem CID 161246471) has the molecular formula C138H181Cl5F13N27O12 and a molecular weight of 2834.38 g/mol. Its IUPAC name is 1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]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-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;6-[6-chloro-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;bis(2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol);prop-2-enoyl chloride;2-[(2S)-pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]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-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;6-[6-chloro-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;bis(2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol);prop-2-enoyl chloride;2-[(2S)-pyrrolidin-2-yl]propan-2-ol
PubChem CID161246471
Molecular FormulaC138H181Cl5F13N27O12
Molecular Weight2834.38 g/mol
Exact Mass2830.26
IUPAC Name1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]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-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;6-[6-chloro-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;bis(2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol);prop-2-enoyl chloride;2-[(2S)-pyrrolidin-2-yl]propan-2-ol
SMILESC=CC(=O)Cl.C=CC(=O)N1CCN(c2nc(OC(C)(C)[C@@H]3CCCN3C)nc3cc(-c4nc(N)ccc4C(F)(F)F)c(Cl)cc23)CC1.CC(C)(O)[C@@H]1CCCN1.CN1CCC[C@H]1C(C)(C)O.CN1CCC[C@H]1C(C)(C)O.CN1CCC[C@H]1C(C)(C)Oc1nc(N2CCCCC2)c2cc(Cl)c(-c3nc(N)ccc3C(F)(F)F)cc2n1.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)(C)[C@@H]4CCCN4C)nc(N4CCN(C(=O)OC(C)(C)C)CC4)c3cc2Cl)n1
InChIInChI=1S/C32H40ClF3N6O3.C29H33ClF3N7O2.C27H32ClF3N6O.C24H24ClF4N5O2.2C8H17NO.C7H15NO.C3H3ClO/c1-19-10-11-22(32(34,35)36)26(37-19)20-18-24-21(17-23(20)33)27(41-13-15-42(16-14-41)29(43)45-30(2,3)4)39-28(38-24)44-31(5,6)25-9-8-12-40(25)7;1-5-24(41)39-11-13-40(14-12-39)26-18-15-20(30)17(25-19(29(31,32)33)8-9-23(34)36-25)16-21(18)35-27(37-26)42-28(2,3)22-7-6-10-38(22)4;1-26(2,21-8-7-11-36(21)3)38-25-33-20-15-16(23-18(27(29,30)31)9-10-22(32)34-23)19(28)14-17(20)24(35-25)37-12-5-4-6-13-37;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;2*1-8(2,10)7-5-4-6-9(7)3;1-7(2,9)6-4-3-5-8-6;1-2-3(4)5/h10-11,17-18,25H,8-9,12-16H2,1-7H3;5,8-9,15-16,22H,1,6-7,10-14H2,2-4H3,(H2,34,36);9-10,14-15,21H,4-8,11-13H2,1-3H3,(H2,32,34);5-6,11-12H,7-10H2,1-4H3;2*7,10H,4-6H2,1-3H3;6,8-9H,3-5H2,1-2H3;2H,1H2/t25-;22-;21-;;2*7-;6-;/m000.000./s1
InChIKeyVARXHWWLNQXEKZ-UIVFGUDASA-N
XLogP27.22
TPSA432.75 Ų
H-Bond Donors6
H-Bond Acceptors36
Rotatable Bonds22
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002834.38
LogP ≤ 527.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1036

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-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]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-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;6-[6-chloro-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;bis(2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol);prop-2-enoyl chloride;2-[(2S)-pyrrolidin-2-yl]propan-2-ol 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-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]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-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;6-[6-chloro-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;bis(2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol);prop-2-enoyl chloride;2-[(2S)-pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]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-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;6-[6-chloro-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;bis(2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol);prop-2-enoyl chloride;2-[(2S)-pyrrolidin-2-yl]propan-2-ol (CID 161246471) is 1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]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-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;6-[6-chloro-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;bis(2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol);prop-2-enoyl chloride;2-[(2S)-pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]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-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;6-[6-chloro-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;bis(2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol);prop-2-enoyl chloride;2-[(2S)-pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]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-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;6-[6-chloro-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;bis(2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol);prop-2-enoyl chloride;2-[(2S)-pyrrolidin-2-yl]propan-2-ol is C=CC(=O)Cl.C=CC(=O)N1CCN(c2nc(OC(C)(C)[C@@H]3CCCN3C)nc3cc(-c4nc(N)ccc4C(F)(F)F)c(Cl)cc23)CC1.CC(C)(O)[C@@H]1CCCN1.CN1CCC[C@H]1C(C)(C)O.CN1CCC[C@H]1C(C)(C)O.CN1CCC[C@H]1C(C)(C)Oc1nc(N2CCCCC2)c2cc(Cl)c(-c3nc(N)ccc3C(F)(F)F)cc2n1.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)(C)[C@@H]4CCCN4C)nc(N4CCN(C(=O)OC(C)(C)C)CC4)c3cc2Cl)n1.
What is the InChIKey of 1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]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-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;6-[6-chloro-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;bis(2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol);prop-2-enoyl chloride;2-[(2S)-pyrrolidin-2-yl]propan-2-ol?
The InChIKey is VARXHWWLNQXEKZ-UIVFGUDASA-N. The full InChI is InChI=1S/C32H40ClF3N6O3.C29H33ClF3N7O2.C27H32ClF3N6O.C24H24ClF4N5O2.2C8H17NO.C7H15NO.C3H3ClO/c1-19-10-11-22(32(34,35)36)26(37-19)20-18-24-21(17-23(20)33)27(41-13-15-42(16-14-41)29(43)45-30(2,3)4)39-28(38-24)44-31(5,6)25-9-8-12-40(25)7;1-5-24(41)39-11-13-40(14-12-39)26-18-15-20(30)17(25-19(29(31,32)33)8-9-23(34)36-25)16-21(18)35-27(37-26)42-28(2,3)22-7-6-10-38(22)4;1-26(2,21-8-7-11-36(21)3)38-25-33-20-15-16(23-18(27(29,30)31)9-10-22(32)34-23)19(28)14-17(20)24(35-25)37-12-5-4-6-13-37;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;2*1-8(2,10)7-5-4-6-9(7)3;1-7(2,9)6-4-3-5-8-6;1-2-3(4)5/h10-11,17-18,25H,8-9,12-16H2,1-7H3;5,8-9,15-16,22H,1,6-7,10-14H2,2-4H3,(H2,34,36);9-10,14-15,21H,4-8,11-13H2,1-3H3,(H2,32,34);5-6,11-12H,7-10H2,1-4H3;2*7,10H,4-6H2,1-3H3;6,8-9H,3-5H2,1-2H3;2H,1H2/t25-;22-;21-;;2*7-;6-;/m000.000./s1.
What are the key properties of 1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]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-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;6-[6-chloro-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;bis(2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol);prop-2-enoyl chloride;2-[(2S)-pyrrolidin-2-yl]propan-2-ol?
1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]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-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;6-[6-chloro-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;bis(2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol);prop-2-enoyl chloride;2-[(2S)-pyrrolidin-2-yl]propan-2-ol has a molecular weight of 2834.38 g/mol, XLogP of 27.22, 22 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-[6-amino-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]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-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]-7-[6-methyl-3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]piperazine-1-carboxylate;6-[6-chloro-2-[2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-yloxy]-4-piperidin-1-ylquinazolin-7-yl]-5-(trifluoromethyl)pyridin-2-amine;bis(2-[(2S)-1-methylpyrrolidin-2-yl]propan-2-ol);prop-2-enoyl chloride;2-[(2S)-pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 161246471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).