N-[2-(1,3-benzothiazol-6-ylmethyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]indazol-1-amine;2-[4-[[4-[(5-ethyl-2H-triazol-4-yl)amino]-7-methoxyquinazolin-2-yl]methyl]phenyl]acetonitrile;2-(4-fluoro-3-methylphenyl)-N-pyrazol-1-ylquinazolin-4-amine;2-(1H-indazol-5-ylmethyl)-N-(5-methyl-2H-triazol-4-yl)pyrido[3,4-d]pyrimidin-4-amine;N-[4-(methoxymethyl)pyrazol-1-yl]-2-(3-methoxyphenoxy)quinazolin-4-amine;2-(2-methyl-1,3-benzoxazol-6-yl)-N-(5-methyl-2H-triazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine

C121H112FN41O5S — CID 158261420

About N-[2-(1,3-benzothiazol-6-ylmethyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]indazol-1-amine;2-[4-[[4-[(5-ethyl-2H-triazol-4-yl)amino]-7-methoxyquinazolin-2-yl]methyl]phenyl]acetonitrile;2-(4-fluoro-3-methylphenyl)-N-pyrazol-1-ylquinazolin-4-amine;2-(1H-indazol-5-ylmethyl)-N-(5-methyl-2H-triazol-4-yl)pyrido[3,4-d]pyrimidin-4-amine;N-[4-(methoxymethyl)pyrazol-1-yl]-2-(3-methoxyphenoxy)quinazolin-4-amine;2-(2-methyl-1,3-benzoxazol-6-yl)-N-(5-methyl-2H-triazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine

N-[2-(1,3-benzothiazol-6-ylmethyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]indazol-1-amine;2-[4-[[4-[(5-ethyl-2H-triazol-4-yl)amino]-7-methoxyquinazolin-2-yl]methyl]phenyl]acetonitrile;2-(4-fluoro-3-methylphenyl)-N-pyrazol-1-ylquinazolin-4-amine;2-(1H-indazol-5-ylmethyl)-N-(5-methyl-2H-triazol-4-yl)pyrido[3,4-d]pyrimidin-4-amine;N-[4-(methoxymethyl)pyrazol-1-yl]-2-(3-methoxyphenoxy)quinazolin-4-amine;2-(2-methyl-1,3-benzoxazol-6-yl)-N-(5-methyl-2H-triazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 158261420) has the molecular formula C121H112FN41O5S and a molecular weight of 2271.57 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-6-ylmethyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]indazol-1-amine;2-[4-[[4-[(5-ethyl-2H-triazol-4-yl)amino]-7-methoxyquinazolin-2-yl]methyl]phenyl]acetonitrile;2-(4-fluoro-3-methylphenyl)-N-pyrazol-1-ylquinazolin-4-amine;2-(1H-indazol-5-ylmethyl)-N-(5-methyl-2H-triazol-4-yl)pyrido[3,4-d]pyrimidin-4-amine;N-[4-(methoxymethyl)pyrazol-1-yl]-2-(3-methoxyphenoxy)quinazolin-4-amine;2-(2-methyl-1,3-benzoxazol-6-yl)-N-(5-methyl-2H-triazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

• Compound Name: N-[2-(1,3-benzothiazol-6-ylmethyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]indazol-1-amine;2-[4-[[4-[(5-ethyl-2H-triazol-4-yl)amino]-7-methoxyquinazolin-2-yl]methyl]phenyl]acetonitrile;2-(4-fluoro-3-methylphenyl)-N-pyrazol-1-ylquinazolin-4-amine;2-(1H-indazol-5-ylmethyl)-N-(5-methyl-2H-triazol-4-yl)pyrido[3,4-d]pyrimidin-4-amine;N-[4-(methoxymethyl)pyrazol-1-yl]-2-(3-methoxyphenoxy)quinazolin-4-amine;2-(2-methyl-1,3-benzoxazol-6-yl)-N-(5-methyl-2H-triazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
• PubChem CID: 158261420
• Molecular Formula: C121H112FN41O5S
• Molecular Weight: 2271.57 g/mol
• Exact Mass: 2269.95
• IUPAC Name: N-[2-(1,3-benzothiazol-6-ylmethyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]indazol-1-amine;2-[4-[[4-[(5-ethyl-2H-triazol-4-yl)amino]-7-methoxyquinazolin-2-yl]methyl]phenyl]acetonitrile;2-(4-fluoro-3-methylphenyl)-N-pyrazol-1-ylquinazolin-4-amine;2-(1H-indazol-5-ylmethyl)-N-(5-methyl-2H-triazol-4-yl)pyrido[3,4-d]pyrimidin-4-amine;N-[4-(methoxymethyl)pyrazol-1-yl]-2-(3-methoxyphenoxy)quinazolin-4-amine;2-(2-methyl-1,3-benzoxazol-6-yl)-N-(5-methyl-2H-triazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
• SMILES: CCc1n[nH]nc1Nc1nc(Cc2ccc(CC#N)cc2)nc2cc(OC)ccc12.CN1CCN(c2cc(Nn3ncc4ccccc43)nc(Cc3ccc4ncsc4c3)n2)CC1.COCc1cnn(Nc2nc(Oc3cccc(OC)c3)nc3ccccc23)c1.Cc1cc(-c2nc(Nn3cccn3)c3ccccc3n2)ccc1F.Cc1n[nH]nc1Nc1nc(Cc2ccc3[nH]ncc3c2)nc2cnccc12.Cc1nc2ccc(-c3nc4c(c(Nc5n[nH]nc5C)n3)CCCC4)cc2o1
• InChI: InChI=1S/C24H24N8S.C22H21N7O.C20H19N5O3.C19H19N7O.C18H14FN5.C18H15N9/c1-30-8-10-31(11-9-30)24-14-23(29-32-20-5-3-2-4-18(20)15-26-32)27-22(28-24)13-17-6-7-19-21(12-17)33-16-25-19;1-3-18-22(28-29-27-18)26-21-17-9-8-16(30-2)13-19(17)24-20(25-21)12-15-6-4-14(5-7-15)10-11-23;1-26-13-14-11-21-25(12-14)24-19-17-8-3-4-9-18(17)22-20(23-19)28-16-7-5-6-15(10-16)27-2;1-10-17(25-26-24-10)22-19-13-5-3-4-6-14(13)21-18(23-19)12-7-8-15-16(9-12)27-11(2)20-15;1-12-11-13(7-8-15(12)19)17-21-16-6-3-2-5-14(16)18(22-17)23-24-10-4-9-20-24;1-10-17(26-27-24-10)23-18-13-4-5-19-9-15(13)21-16(22-18)7-11-2-3-14-12(6-11)8-20-25-14/h2-7,12,14-16H,8-11,13H2,1H3,(H,27,28,29);4-9,13H,3,10,12H2,1-2H3,(H2,24,25,26,27,28,29);3-12H,13H2,1-2H3,(H,22,23,24);7-9H,3-6H2,1-2H3,(H2,21,22,23,24,25,26);2-11H,1H3,(H,21,22,23);2-6,8-9H,7H2,1H3,(H,20,25)(H2,21,22,23,24,26,27)
• InChIKey: GHXJXFROUMALGX-UHFFFAOYSA-N
• XLogP: 21.14
• TPSA: 552.71 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 43
• Rotatable Bonds: 29
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2271.57
LogP ≤ 5	21.14
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-6-ylmethyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]indazol-1-amine;2-[4-[[4-[(5-ethyl-2H-triazol-4-yl)amino]-7-methoxyquinazolin-2-yl]methyl]phenyl]acetonitrile;2-(4-fluoro-3-methylphenyl)-N-pyrazol-1-ylquinazolin-4-amine;2-(1H-indazol-5-ylmethyl)-N-(5-methyl-2H-triazol-4-yl)pyrido[3,4-d]pyrimidin-4-amine;N-[4-(methoxymethyl)pyrazol-1-yl]-2-(3-methoxyphenoxy)quinazolin-4-amine;2-(2-methyl-1,3-benzoxazol-6-yl)-N-(5-methyl-2H-triazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?

The IUPAC name of N-[2-(1,3-benzothiazol-6-ylmethyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]indazol-1-amine;2-[4-[[4-[(5-ethyl-2H-triazol-4-yl)amino]-7-methoxyquinazolin-2-yl]methyl]phenyl]acetonitrile;2-(4-fluoro-3-methylphenyl)-N-pyrazol-1-ylquinazolin-4-amine;2-(1H-indazol-5-ylmethyl)-N-(5-methyl-2H-triazol-4-yl)pyrido[3,4-d]pyrimidin-4-amine;N-[4-(methoxymethyl)pyrazol-1-yl]-2-(3-methoxyphenoxy)quinazolin-4-amine;2-(2-methyl-1,3-benzoxazol-6-yl)-N-(5-methyl-2H-triazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 158261420) is N-[2-(1,3-benzothiazol-6-ylmethyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]indazol-1-amine;2-[4-[[4-[(5-ethyl-2H-triazol-4-yl)amino]-7-methoxyquinazolin-2-yl]methyl]phenyl]acetonitrile;2-(4-fluoro-3-methylphenyl)-N-pyrazol-1-ylquinazolin-4-amine;2-(1H-indazol-5-ylmethyl)-N-(5-methyl-2H-triazol-4-yl)pyrido[3,4-d]pyrimidin-4-amine;N-[4-(methoxymethyl)pyrazol-1-yl]-2-(3-methoxyphenoxy)quinazolin-4-amine;2-(2-methyl-1,3-benzoxazol-6-yl)-N-(5-methyl-2H-triazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine.

What is the SMILES notation for N-[2-(1,3-benzothiazol-6-ylmethyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]indazol-1-amine;2-[4-[[4-[(5-ethyl-2H-triazol-4-yl)amino]-7-methoxyquinazolin-2-yl]methyl]phenyl]acetonitrile;2-(4-fluoro-3-methylphenyl)-N-pyrazol-1-ylquinazolin-4-amine;2-(1H-indazol-5-ylmethyl)-N-(5-methyl-2H-triazol-4-yl)pyrido[3,4-d]pyrimidin-4-amine;N-[4-(methoxymethyl)pyrazol-1-yl]-2-(3-methoxyphenoxy)quinazolin-4-amine;2-(2-methyl-1,3-benzoxazol-6-yl)-N-(5-methyl-2H-triazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?

The canonical SMILES for N-[2-(1,3-benzothiazol-6-ylmethyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]indazol-1-amine;2-[4-[[4-[(5-ethyl-2H-triazol-4-yl)amino]-7-methoxyquinazolin-2-yl]methyl]phenyl]acetonitrile;2-(4-fluoro-3-methylphenyl)-N-pyrazol-1-ylquinazolin-4-amine;2-(1H-indazol-5-ylmethyl)-N-(5-methyl-2H-triazol-4-yl)pyrido[3,4-d]pyrimidin-4-amine;N-[4-(methoxymethyl)pyrazol-1-yl]-2-(3-methoxyphenoxy)quinazolin-4-amine;2-(2-methyl-1,3-benzoxazol-6-yl)-N-(5-methyl-2H-triazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine is CCc1n[nH]nc1Nc1nc(Cc2ccc(CC#N)cc2)nc2cc(OC)ccc12.CN1CCN(c2cc(Nn3ncc4ccccc43)nc(Cc3ccc4ncsc4c3)n2)CC1.COCc1cnn(Nc2nc(Oc3cccc(OC)c3)nc3ccccc23)c1.Cc1cc(-c2nc(Nn3cccn3)c3ccccc3n2)ccc1F.Cc1n[nH]nc1Nc1nc(Cc2ccc3[nH]ncc3c2)nc2cnccc12.Cc1nc2ccc(-c3nc4c(c(Nc5n[nH]nc5C)n3)CCCC4)cc2o1.

What is the InChIKey of N-[2-(1,3-benzothiazol-6-ylmethyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]indazol-1-amine;2-[4-[[4-[(5-ethyl-2H-triazol-4-yl)amino]-7-methoxyquinazolin-2-yl]methyl]phenyl]acetonitrile;2-(4-fluoro-3-methylphenyl)-N-pyrazol-1-ylquinazolin-4-amine;2-(1H-indazol-5-ylmethyl)-N-(5-methyl-2H-triazol-4-yl)pyrido[3,4-d]pyrimidin-4-amine;N-[4-(methoxymethyl)pyrazol-1-yl]-2-(3-methoxyphenoxy)quinazolin-4-amine;2-(2-methyl-1,3-benzoxazol-6-yl)-N-(5-methyl-2H-triazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?

The InChIKey is GHXJXFROUMALGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8S.C22H21N7O.C20H19N5O3.C19H19N7O.C18H14FN5.C18H15N9/c1-30-8-10-31(11-9-30)24-14-23(29-32-20-5-3-2-4-18(20)15-26-32)27-22(28-24)13-17-6-7-19-21(12-17)33-16-25-19;1-3-18-22(28-29-27-18)26-21-17-9-8-16(30-2)13-19(17)24-20(25-21)12-15-6-4-14(5-7-15)10-11-23;1-26-13-14-11-21-25(12-14)24-19-17-8-3-4-9-18(17)22-20(23-19)28-16-7-5-6-15(10-16)27-2;1-10-17(25-26-24-10)22-19-13-5-3-4-6-14(13)21-18(23-19)12-7-8-15-16(9-12)27-11(2)20-15;1-12-11-13(7-8-15(12)19)17-21-16-6-3-2-5-14(16)18(22-17)23-24-10-4-9-20-24;1-10-17(26-27-24-10)23-18-13-4-5-19-9-15(13)21-16(22-18)7-11-2-3-14-12(6-11)8-20-25-14/h2-7,12,14-16H,8-11,13H2,1H3,(H,27,28,29);4-9,13H,3,10,12H2,1-2H3,(H2,24,25,26,27,28,29);3-12H,13H2,1-2H3,(H,22,23,24);7-9H,3-6H2,1-2H3,(H2,21,22,23,24,25,26);2-11H,1H3,(H,21,22,23);2-6,8-9H,7H2,1H3,(H,20,25)(H2,21,22,23,24,26,27).

What are the key properties of N-[2-(1,3-benzothiazol-6-ylmethyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]indazol-1-amine;2-[4-[[4-[(5-ethyl-2H-triazol-4-yl)amino]-7-methoxyquinazolin-2-yl]methyl]phenyl]acetonitrile;2-(4-fluoro-3-methylphenyl)-N-pyrazol-1-ylquinazolin-4-amine;2-(1H-indazol-5-ylmethyl)-N-(5-methyl-2H-triazol-4-yl)pyrido[3,4-d]pyrimidin-4-amine;N-[4-(methoxymethyl)pyrazol-1-yl]-2-(3-methoxyphenoxy)quinazolin-4-amine;2-(2-methyl-1,3-benzoxazol-6-yl)-N-(5-methyl-2H-triazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?

N-[2-(1,3-benzothiazol-6-ylmethyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]indazol-1-amine;2-[4-[[4-[(5-ethyl-2H-triazol-4-yl)amino]-7-methoxyquinazolin-2-yl]methyl]phenyl]acetonitrile;2-(4-fluoro-3-methylphenyl)-N-pyrazol-1-ylquinazolin-4-amine;2-(1H-indazol-5-ylmethyl)-N-(5-methyl-2H-triazol-4-yl)pyrido[3,4-d]pyrimidin-4-amine;N-[4-(methoxymethyl)pyrazol-1-yl]-2-(3-methoxyphenoxy)quinazolin-4-amine;2-(2-methyl-1,3-benzoxazol-6-yl)-N-(5-methyl-2H-triazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 2271.57 g/mol, XLogP of 21.14, 29 rotatable bonds, 10 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1,3-benzothiazol-6-ylmethyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]indazol-1-amine;2-[4-[[4-[(5-ethyl-2H-triazol-4-yl)amino]-7-methoxyquinazolin-2-yl]methyl]phenyl]acetonitrile;2-(4-fluoro-3-methylphenyl)-N-pyrazol-1-ylquinazolin-4-amine;2-(1H-indazol-5-ylmethyl)-N-(5-methyl-2H-triazol-4-yl)pyrido[3,4-d]pyrimidin-4-amine;N-[4-(methoxymethyl)pyrazol-1-yl]-2-(3-methoxyphenoxy)quinazolin-4-amine;2-(2-methyl-1,3-benzoxazol-6-yl)-N-(5-methyl-2H-triazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 158261420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).