4-[1-[(1-cyclopropylpyrazol-3-yl)methyl]triazol-4-yl]-8-methoxyquinazolin-2-amine;7-fluoro-8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[[1-[(3R)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[[1-[(3S)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine

C108H113FN48O7 — CID 160932457

IUPAC4-[1-[(1-cyclopropylpyrazol-3-yl)methyl]triazol-4-yl]-8-methoxyquinazolin-2-amine;7-fluoro-8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[[1-[(3R)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[[1-[(3S)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine
SMILESCOc1c(F)ccc2c(-c3cn(Cc4ccn(C(C)C)n4)nn3)nc(N)nc12.COc1cccc2c(-c3cn(Cc4ccn(C(C)C)n4)nn3)nc(N)nc12.COc1cccc2c(-c3cn(Cc4ccn(C)n4)nn3)nc(N)nc12.COc1cccc2c(-c3cn(Cc4ccn(C5CC5)n4)nn3)nc(N)nc12.COc1cccc2c(-c3cn(Cc4ccn([C@@H]5CCOC5)n4)nn3)nc(N)nc12.Cc1cccc2c(-c3cn(Cc4ccn([C@H]5CCOC5)n4)nn3)nc(N)nc12
InChIInChI=1S/C19H20N8O2.C19H20N8O.C18H19FN8O.C18H18N8O.C18H20N8O.C16H16N8O/c1-28-16-4-2-3-14-17(21-19(20)22-18(14)16)15-10-26(25-23-15)9-12-5-7-27(24-12)13-6-8-29-11-13;1-12-3-2-4-15-17(12)21-19(20)22-18(15)16-10-26(25-23-16)9-13-5-7-27(24-13)14-6-8-28-11-14;1-10(2)27-7-6-11(24-27)8-26-9-14(23-25-26)15-12-4-5-13(19)17(28-3)16(12)22-18(20)21-15;1-27-15-4-2-3-13-16(20-18(19)21-17(13)15)14-10-25(24-22-14)9-11-7-8-26(23-11)12-5-6-12;1-11(2)26-8-7-12(23-26)9-25-10-14(22-24-25)16-13-5-4-6-15(27-3)17(13)21-18(19)20-16;1-23-7-6-10(21-23)8-24-9-12(20-22-24)14-11-4-3-5-13(25-2)15(11)19-16(17)18-14/h2-5,7,10,13H,6,8-9,11H2,1H3,(H2,20,21,22);2-5,7,10,14H,6,8-9,11H2,1H3,(H2,20,21,22);4-7,9-10H,8H2,1-3H3,(H2,20,21,22);2-4,7-8,10,12H,5-6,9H2,1H3,(H2,19,20,21);4-8,10-11H,9H2,1-3H3,(H2,19,20,21);3-7,9H,8H2,1-2H3,(H2,17,18,19)/t13-;14-;;;;/m10..../s1
InChIKeySTLBPUNXVDDBKP-DHNIOWMLSA-N
MW2214.42 g/mol
LogP11.74
Rot. Bonds28

About 4-[1-[(1-cyclopropylpyrazol-3-yl)methyl]triazol-4-yl]-8-methoxyquinazolin-2-amine;7-fluoro-8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[[1-[(3R)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[[1-[(3S)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine

4-[1-[(1-cyclopropylpyrazol-3-yl)methyl]triazol-4-yl]-8-methoxyquinazolin-2-amine;7-fluoro-8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[[1-[(3R)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[[1-[(3S)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine (PubChem CID 160932457) has the molecular formula C108H113FN48O7 and a molecular weight of 2214.42 g/mol. Its IUPAC name is 4-[1-[(1-cyclopropylpyrazol-3-yl)methyl]triazol-4-yl]-8-methoxyquinazolin-2-amine;7-fluoro-8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[[1-[(3R)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[[1-[(3S)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine.

Molecular Properties

Compound Name4-[1-[(1-cyclopropylpyrazol-3-yl)methyl]triazol-4-yl]-8-methoxyquinazolin-2-amine;7-fluoro-8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[[1-[(3R)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[[1-[(3S)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine
PubChem CID160932457
Molecular FormulaC108H113FN48O7
Molecular Weight2214.42 g/mol
Exact Mass2212.99
IUPAC Name4-[1-[(1-cyclopropylpyrazol-3-yl)methyl]triazol-4-yl]-8-methoxyquinazolin-2-amine;7-fluoro-8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[[1-[(3R)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[[1-[(3S)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine
SMILESCOc1c(F)ccc2c(-c3cn(Cc4ccn(C(C)C)n4)nn3)nc(N)nc12.COc1cccc2c(-c3cn(Cc4ccn(C(C)C)n4)nn3)nc(N)nc12.COc1cccc2c(-c3cn(Cc4ccn(C)n4)nn3)nc(N)nc12.COc1cccc2c(-c3cn(Cc4ccn(C5CC5)n4)nn3)nc(N)nc12.COc1cccc2c(-c3cn(Cc4ccn([C@@H]5CCOC5)n4)nn3)nc(N)nc12.Cc1cccc2c(-c3cn(Cc4ccn([C@H]5CCOC5)n4)nn3)nc(N)nc12
InChIInChI=1S/C19H20N8O2.C19H20N8O.C18H19FN8O.C18H18N8O.C18H20N8O.C16H16N8O/c1-28-16-4-2-3-14-17(21-19(20)22-18(14)16)15-10-26(25-23-15)9-12-5-7-27(24-12)13-6-8-29-11-13;1-12-3-2-4-15-17(12)21-19(20)22-18(15)16-10-26(25-23-16)9-13-5-7-27(24-13)14-6-8-28-11-14;1-10(2)27-7-6-11(24-27)8-26-9-14(23-25-26)15-12-4-5-13(19)17(28-3)16(12)22-18(20)21-15;1-27-15-4-2-3-13-16(20-18(19)21-17(13)15)14-10-25(24-22-14)9-11-7-8-26(23-11)12-5-6-12;1-11(2)26-8-7-12(23-26)9-25-10-14(22-24-25)16-13-5-4-6-15(27-3)17(13)21-18(19)20-16;1-23-7-6-10(21-23)8-24-9-12(20-22-24)14-11-4-3-5-13(25-2)15(11)19-16(17)18-14/h2-5,7,10,13H,6,8-9,11H2,1H3,(H2,20,21,22);2-5,7,10,14H,6,8-9,11H2,1H3,(H2,20,21,22);4-7,9-10H,8H2,1-3H3,(H2,20,21,22);2-4,7-8,10,12H,5-6,9H2,1H3,(H2,19,20,21);4-8,10-11H,9H2,1-3H3,(H2,19,20,21);3-7,9H,8H2,1-2H3,(H2,17,18,19)/t13-;14-;;;;/m10..../s1
InChIKeySTLBPUNXVDDBKP-DHNIOWMLSA-N
XLogP11.74
TPSA666.59 Ų
H-Bond Donors6
H-Bond Acceptors55
Rotatable Bonds28
Heavy Atoms164
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002214.42
LogP ≤ 511.74
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1055

Analyze 4-[1-[(1-cyclopropylpyrazol-3-yl)methyl]triazol-4-yl]-8-methoxyquinazolin-2-amine;7-fluoro-8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[[1-[(3R)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[[1-[(3S)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1-cyclopropylpyrazol-3-yl)methyl]triazol-4-yl]-8-methoxyquinazolin-2-amine;7-fluoro-8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[[1-[(3R)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[[1-[(3S)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine?
The IUPAC name of 4-[1-[(1-cyclopropylpyrazol-3-yl)methyl]triazol-4-yl]-8-methoxyquinazolin-2-amine;7-fluoro-8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[[1-[(3R)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[[1-[(3S)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine (CID 160932457) is 4-[1-[(1-cyclopropylpyrazol-3-yl)methyl]triazol-4-yl]-8-methoxyquinazolin-2-amine;7-fluoro-8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[[1-[(3R)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[[1-[(3S)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine.
What is the SMILES notation for 4-[1-[(1-cyclopropylpyrazol-3-yl)methyl]triazol-4-yl]-8-methoxyquinazolin-2-amine;7-fluoro-8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[[1-[(3R)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[[1-[(3S)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine?
The canonical SMILES for 4-[1-[(1-cyclopropylpyrazol-3-yl)methyl]triazol-4-yl]-8-methoxyquinazolin-2-amine;7-fluoro-8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[[1-[(3R)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[[1-[(3S)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine is COc1c(F)ccc2c(-c3cn(Cc4ccn(C(C)C)n4)nn3)nc(N)nc12.COc1cccc2c(-c3cn(Cc4ccn(C(C)C)n4)nn3)nc(N)nc12.COc1cccc2c(-c3cn(Cc4ccn(C)n4)nn3)nc(N)nc12.COc1cccc2c(-c3cn(Cc4ccn(C5CC5)n4)nn3)nc(N)nc12.COc1cccc2c(-c3cn(Cc4ccn([C@@H]5CCOC5)n4)nn3)nc(N)nc12.Cc1cccc2c(-c3cn(Cc4ccn([C@H]5CCOC5)n4)nn3)nc(N)nc12.
What is the InChIKey of 4-[1-[(1-cyclopropylpyrazol-3-yl)methyl]triazol-4-yl]-8-methoxyquinazolin-2-amine;7-fluoro-8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[[1-[(3R)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[[1-[(3S)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine?
The InChIKey is STLBPUNXVDDBKP-DHNIOWMLSA-N. The full InChI is InChI=1S/C19H20N8O2.C19H20N8O.C18H19FN8O.C18H18N8O.C18H20N8O.C16H16N8O/c1-28-16-4-2-3-14-17(21-19(20)22-18(14)16)15-10-26(25-23-15)9-12-5-7-27(24-12)13-6-8-29-11-13;1-12-3-2-4-15-17(12)21-19(20)22-18(15)16-10-26(25-23-16)9-13-5-7-27(24-13)14-6-8-28-11-14;1-10(2)27-7-6-11(24-27)8-26-9-14(23-25-26)15-12-4-5-13(19)17(28-3)16(12)22-18(20)21-15;1-27-15-4-2-3-13-16(20-18(19)21-17(13)15)14-10-25(24-22-14)9-11-7-8-26(23-11)12-5-6-12;1-11(2)26-8-7-12(23-26)9-25-10-14(22-24-25)16-13-5-4-6-15(27-3)17(13)21-18(19)20-16;1-23-7-6-10(21-23)8-24-9-12(20-22-24)14-11-4-3-5-13(25-2)15(11)19-16(17)18-14/h2-5,7,10,13H,6,8-9,11H2,1H3,(H2,20,21,22);2-5,7,10,14H,6,8-9,11H2,1H3,(H2,20,21,22);4-7,9-10H,8H2,1-3H3,(H2,20,21,22);2-4,7-8,10,12H,5-6,9H2,1H3,(H2,19,20,21);4-8,10-11H,9H2,1-3H3,(H2,19,20,21);3-7,9H,8H2,1-2H3,(H2,17,18,19)/t13-;14-;;;;/m10..../s1.
What are the key properties of 4-[1-[(1-cyclopropylpyrazol-3-yl)methyl]triazol-4-yl]-8-methoxyquinazolin-2-amine;7-fluoro-8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[[1-[(3R)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[[1-[(3S)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine?
4-[1-[(1-cyclopropylpyrazol-3-yl)methyl]triazol-4-yl]-8-methoxyquinazolin-2-amine;7-fluoro-8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[[1-[(3R)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[[1-[(3S)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine has a molecular weight of 2214.42 g/mol, XLogP of 11.74, 28 rotatable bonds, 6 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1-cyclopropylpyrazol-3-yl)methyl]triazol-4-yl]-8-methoxyquinazolin-2-amine;7-fluoro-8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-methylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[[1-[(3R)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine;8-methoxy-4-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]triazol-4-yl]quinazolin-2-amine;8-methyl-4-[1-[[1-[(3S)-oxolan-3-yl]pyrazol-3-yl]methyl]triazol-4-yl]quinazolin-2-amine is sourced from PubChem (CID 160932457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).