6-(3-amino-1H-pyrazol-5-yl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-fluoro-1-[4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-1-yl]prop-2-en-1-one;N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]cyclohex-3-en-1-yl]prop-2-enamide;N-[(3R)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-3-yl]prop-2-enamide;N-[(3S)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-3-yl]prop-2-enamide;1-[4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-1-yl]prop-2-en-1-one

C164H149FN52O11 — CID 159065676

IUPAC6-(3-amino-1H-pyrazol-5-yl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-fluoro-1-[4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-1-yl]prop-2-en-1-one;N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]cyclohex-3-en-1-yl]prop-2-enamide;N-[(3R)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-3-yl]prop-2-enamide;N-[(3S)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-3-yl]prop-2-enamide;1-[4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-1-yl]prop-2-en-1-one
SMILESC=C(F)C(=O)N1CCC(c2ccc3ncnc(Nc4ccc(Oc5cc6nncn6cn5)c(C)c4)c3c2)CC1.C=CC(=O)N1CCC(c2ccc3ncnc(Nc4ccc(Oc5cc6nncn6cn5)c(C)c4)c3c2)CC1.C=CC(=O)NC1CCC=C(c2ccc3ncnc(Nc4ccc(Oc5cc6nncn6cn5)c(C)c4)c3c2)C1.C=CC(=O)N[C@@H]1CCCN(c2ccc3ncnc(Nc4ccc(Oc5cc6nncn6cn5)c(C)c4)c3c2)C1.C=CC(=O)N[C@H]1CCCN(c2ccc3ncnc(Nc4ccc(Oc5cc6nncn6cn5)c(C)c4)c3c2)C1.Cc1cc(Nc2ncnc3ccc(-c4cc(N)n[nH]4)cc23)ccc1Oc1cc2nncn2cn1
InChIInChI=1S/C29H26N8O2.C28H25FN8O2.2C28H27N9O2.C28H26N8O2.C23H18N10O/c1-3-27(38)34-21-6-4-5-19(12-21)20-7-9-24-23(13-20)29(31-15-30-24)35-22-8-10-25(18(2)11-22)39-28-14-26-36-33-17-37(26)16-32-28;1-17-11-21(4-6-24(17)39-26-13-25-35-33-16-37(25)15-32-26)34-27-22-12-20(3-5-23(22)30-14-31-27)19-7-9-36(10-8-19)28(38)18(2)29;2*1-3-26(38)33-20-5-4-10-36(14-20)21-7-8-23-22(12-21)28(30-15-29-23)34-19-6-9-24(18(2)11-19)39-27-13-25-35-32-17-37(25)16-31-27;1-3-27(37)35-10-8-19(9-11-35)20-4-6-23-22(13-20)28(30-15-29-23)33-21-5-7-24(18(2)12-21)38-26-14-25-34-32-17-36(25)16-31-26;1-13-6-15(3-5-19(13)34-22-9-21-32-28-12-33(21)11-27-22)29-23-16-7-14(18-8-20(24)31-30-18)2-4-17(16)25-10-26-23/h3,5,7-11,13-17,21H,1,4,6,12H2,2H3,(H,34,38)(H,30,31,35);3-6,11-16,19H,2,7-10H2,1H3,(H,30,31,34);2*3,6-9,11-13,15-17,20H,1,4-5,10,14H2,2H3,(H,33,38)(H,29,30,34);3-7,12-17,19H,1,8-11H2,2H3,(H,29,30,33);2-12H,1H3,(H3,24,30,31)(H,25,26,29)/t;;2*20-;;/m..10../s1
InChIKeyJZAFNNAVOMAXPP-XCTDKYRASA-N
MW3043.35 g/mol
LogP27.30
Rot. Bonds38

About 6-(3-amino-1H-pyrazol-5-yl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-fluoro-1-[4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-1-yl]prop-2-en-1-one;N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]cyclohex-3-en-1-yl]prop-2-enamide;N-[(3R)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-3-yl]prop-2-enamide;N-[(3S)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-3-yl]prop-2-enamide;1-[4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-1-yl]prop-2-en-1-one

6-(3-amino-1H-pyrazol-5-yl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-fluoro-1-[4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-1-yl]prop-2-en-1-one;N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]cyclohex-3-en-1-yl]prop-2-enamide;N-[(3R)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-3-yl]prop-2-enamide;N-[(3S)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-3-yl]prop-2-enamide;1-[4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-1-yl]prop-2-en-1-one (PubChem CID 159065676) has the molecular formula C164H149FN52O11 and a molecular weight of 3043.35 g/mol. Its IUPAC name is 6-(3-amino-1H-pyrazol-5-yl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-fluoro-1-[4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-1-yl]prop-2-en-1-one;N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]cyclohex-3-en-1-yl]prop-2-enamide;N-[(3R)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-3-yl]prop-2-enamide;N-[(3S)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-3-yl]prop-2-enamide;1-[4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name6-(3-amino-1H-pyrazol-5-yl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-fluoro-1-[4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-1-yl]prop-2-en-1-one;N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]cyclohex-3-en-1-yl]prop-2-enamide;N-[(3R)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-3-yl]prop-2-enamide;N-[(3S)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-3-yl]prop-2-enamide;1-[4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-1-yl]prop-2-en-1-one
PubChem CID159065676
Molecular FormulaC164H149FN52O11
Molecular Weight3043.35 g/mol
Exact Mass3041.27
IUPAC Name6-(3-amino-1H-pyrazol-5-yl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-fluoro-1-[4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-1-yl]prop-2-en-1-one;N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]cyclohex-3-en-1-yl]prop-2-enamide;N-[(3R)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-3-yl]prop-2-enamide;N-[(3S)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-3-yl]prop-2-enamide;1-[4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-1-yl]prop-2-en-1-one
SMILESC=C(F)C(=O)N1CCC(c2ccc3ncnc(Nc4ccc(Oc5cc6nncn6cn5)c(C)c4)c3c2)CC1.C=CC(=O)N1CCC(c2ccc3ncnc(Nc4ccc(Oc5cc6nncn6cn5)c(C)c4)c3c2)CC1.C=CC(=O)NC1CCC=C(c2ccc3ncnc(Nc4ccc(Oc5cc6nncn6cn5)c(C)c4)c3c2)C1.C=CC(=O)N[C@@H]1CCCN(c2ccc3ncnc(Nc4ccc(Oc5cc6nncn6cn5)c(C)c4)c3c2)C1.C=CC(=O)N[C@H]1CCCN(c2ccc3ncnc(Nc4ccc(Oc5cc6nncn6cn5)c(C)c4)c3c2)C1.Cc1cc(Nc2ncnc3ccc(-c4cc(N)n[nH]4)cc23)ccc1Oc1cc2nncn2cn1
InChIInChI=1S/C29H26N8O2.C28H25FN8O2.2C28H27N9O2.C28H26N8O2.C23H18N10O/c1-3-27(38)34-21-6-4-5-19(12-21)20-7-9-24-23(13-20)29(31-15-30-24)35-22-8-10-25(18(2)11-22)39-28-14-26-36-33-17-37(26)16-32-28;1-17-11-21(4-6-24(17)39-26-13-25-35-33-16-37(25)15-32-26)34-27-22-12-20(3-5-23(22)30-14-31-27)19-7-9-36(10-8-19)28(38)18(2)29;2*1-3-26(38)33-20-5-4-10-36(14-20)21-7-8-23-22(12-21)28(30-15-29-23)34-19-6-9-24(18(2)11-19)39-27-13-25-35-32-17-37(25)16-31-27;1-3-27(37)35-10-8-19(9-11-35)20-4-6-23-22(13-20)28(30-15-29-23)33-21-5-7-24(18(2)12-21)38-26-14-25-34-32-17-36(25)16-31-26;1-13-6-15(3-5-19(13)34-22-9-21-32-28-12-33(21)11-27-22)29-23-16-7-14(18-8-20(24)31-30-18)2-4-17(16)25-10-26-23/h3,5,7-11,13-17,21H,1,4,6,12H2,2H3,(H,34,38)(H,30,31,35);3-6,11-16,19H,2,7-10H2,1H3,(H,30,31,34);2*3,6-9,11-13,15-17,20H,1,4-5,10,14H2,2H3,(H,33,38)(H,29,30,34);3-7,12-17,19H,1,8-11H2,2H3,(H,29,30,33);2-12H,1H3,(H3,24,30,31)(H,25,26,29)/t;;2*20-;;/m..10../s1
InChIKeyJZAFNNAVOMAXPP-XCTDKYRASA-N
XLogP27.30
TPSA729.82 Ų
H-Bond Donors11
H-Bond Acceptors57
Rotatable Bonds38
Heavy Atoms228
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003043.35
LogP ≤ 527.30
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1057

Computed Properties (RDKit)

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

Analyze 6-(3-amino-1H-pyrazol-5-yl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-fluoro-1-[4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-1-yl]prop-2-en-1-one;N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]cyclohex-3-en-1-yl]prop-2-enamide;N-[(3R)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-3-yl]prop-2-enamide;N-[(3S)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-3-yl]prop-2-enamide;1-[4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-1-yl]prop-2-en-1-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-1H-pyrazol-5-yl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-fluoro-1-[4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-1-yl]prop-2-en-1-one;N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]cyclohex-3-en-1-yl]prop-2-enamide;N-[(3R)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-3-yl]prop-2-enamide;N-[(3S)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-3-yl]prop-2-enamide;1-[4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-1-yl]prop-2-en-1-one?
The IUPAC name of 6-(3-amino-1H-pyrazol-5-yl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-fluoro-1-[4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-1-yl]prop-2-en-1-one;N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]cyclohex-3-en-1-yl]prop-2-enamide;N-[(3R)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-3-yl]prop-2-enamide;N-[(3S)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-3-yl]prop-2-enamide;1-[4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-1-yl]prop-2-en-1-one (CID 159065676) is 6-(3-amino-1H-pyrazol-5-yl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-fluoro-1-[4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-1-yl]prop-2-en-1-one;N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]cyclohex-3-en-1-yl]prop-2-enamide;N-[(3R)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-3-yl]prop-2-enamide;N-[(3S)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-3-yl]prop-2-enamide;1-[4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 6-(3-amino-1H-pyrazol-5-yl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-fluoro-1-[4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-1-yl]prop-2-en-1-one;N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]cyclohex-3-en-1-yl]prop-2-enamide;N-[(3R)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-3-yl]prop-2-enamide;N-[(3S)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-3-yl]prop-2-enamide;1-[4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 6-(3-amino-1H-pyrazol-5-yl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-fluoro-1-[4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-1-yl]prop-2-en-1-one;N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]cyclohex-3-en-1-yl]prop-2-enamide;N-[(3R)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-3-yl]prop-2-enamide;N-[(3S)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-3-yl]prop-2-enamide;1-[4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-1-yl]prop-2-en-1-one is C=C(F)C(=O)N1CCC(c2ccc3ncnc(Nc4ccc(Oc5cc6nncn6cn5)c(C)c4)c3c2)CC1.C=CC(=O)N1CCC(c2ccc3ncnc(Nc4ccc(Oc5cc6nncn6cn5)c(C)c4)c3c2)CC1.C=CC(=O)NC1CCC=C(c2ccc3ncnc(Nc4ccc(Oc5cc6nncn6cn5)c(C)c4)c3c2)C1.C=CC(=O)N[C@@H]1CCCN(c2ccc3ncnc(Nc4ccc(Oc5cc6nncn6cn5)c(C)c4)c3c2)C1.C=CC(=O)N[C@H]1CCCN(c2ccc3ncnc(Nc4ccc(Oc5cc6nncn6cn5)c(C)c4)c3c2)C1.Cc1cc(Nc2ncnc3ccc(-c4cc(N)n[nH]4)cc23)ccc1Oc1cc2nncn2cn1.
What is the InChIKey of 6-(3-amino-1H-pyrazol-5-yl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-fluoro-1-[4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-1-yl]prop-2-en-1-one;N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]cyclohex-3-en-1-yl]prop-2-enamide;N-[(3R)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-3-yl]prop-2-enamide;N-[(3S)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-3-yl]prop-2-enamide;1-[4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-1-yl]prop-2-en-1-one?
The InChIKey is JZAFNNAVOMAXPP-XCTDKYRASA-N. The full InChI is InChI=1S/C29H26N8O2.C28H25FN8O2.2C28H27N9O2.C28H26N8O2.C23H18N10O/c1-3-27(38)34-21-6-4-5-19(12-21)20-7-9-24-23(13-20)29(31-15-30-24)35-22-8-10-25(18(2)11-22)39-28-14-26-36-33-17-37(26)16-32-28;1-17-11-21(4-6-24(17)39-26-13-25-35-33-16-37(25)15-32-26)34-27-22-12-20(3-5-23(22)30-14-31-27)19-7-9-36(10-8-19)28(38)18(2)29;2*1-3-26(38)33-20-5-4-10-36(14-20)21-7-8-23-22(12-21)28(30-15-29-23)34-19-6-9-24(18(2)11-19)39-27-13-25-35-32-17-37(25)16-31-27;1-3-27(37)35-10-8-19(9-11-35)20-4-6-23-22(13-20)28(30-15-29-23)33-21-5-7-24(18(2)12-21)38-26-14-25-34-32-17-36(25)16-31-26;1-13-6-15(3-5-19(13)34-22-9-21-32-28-12-33(21)11-27-22)29-23-16-7-14(18-8-20(24)31-30-18)2-4-17(16)25-10-26-23/h3,5,7-11,13-17,21H,1,4,6,12H2,2H3,(H,34,38)(H,30,31,35);3-6,11-16,19H,2,7-10H2,1H3,(H,30,31,34);2*3,6-9,11-13,15-17,20H,1,4-5,10,14H2,2H3,(H,33,38)(H,29,30,34);3-7,12-17,19H,1,8-11H2,2H3,(H,29,30,33);2-12H,1H3,(H3,24,30,31)(H,25,26,29)/t;;2*20-;;/m..10../s1.
What are the key properties of 6-(3-amino-1H-pyrazol-5-yl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-fluoro-1-[4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-1-yl]prop-2-en-1-one;N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]cyclohex-3-en-1-yl]prop-2-enamide;N-[(3R)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-3-yl]prop-2-enamide;N-[(3S)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-3-yl]prop-2-enamide;1-[4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-1-yl]prop-2-en-1-one?
6-(3-amino-1H-pyrazol-5-yl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-fluoro-1-[4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-1-yl]prop-2-en-1-one;N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]cyclohex-3-en-1-yl]prop-2-enamide;N-[(3R)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-3-yl]prop-2-enamide;N-[(3S)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-3-yl]prop-2-enamide;1-[4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-1-yl]prop-2-en-1-one has a molecular weight of 3043.35 g/mol, XLogP of 27.30, 38 rotatable bonds, 11 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-1H-pyrazol-5-yl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;2-fluoro-1-[4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-1-yl]prop-2-en-1-one;N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]cyclohex-3-en-1-yl]prop-2-enamide;N-[(3R)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-3-yl]prop-2-enamide;N-[(3S)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-3-yl]prop-2-enamide;1-[4-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 159065676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).