N-[2-(4-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazol-3-amine;2-(4-chlorophenyl)-7-N-ethyl-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-4,7-diamine;2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-7-pyrrol-1-ylquinazolin-4-amine;2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine;2-(3-methoxyphenyl)-7-methyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

C100H89Cl4N27O — CID 157290609

About N-[2-(4-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazol-3-amine;2-(4-chlorophenyl)-7-N-ethyl-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-4,7-diamine;2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-7-pyrrol-1-ylquinazolin-4-amine;2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine;2-(3-methoxyphenyl)-7-methyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

N-[2-(4-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazol-3-amine;2-(4-chlorophenyl)-7-N-ethyl-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-4,7-diamine;2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-7-pyrrol-1-ylquinazolin-4-amine;2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine;2-(3-methoxyphenyl)-7-methyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (PubChem CID 157290609) has the molecular formula C100H89Cl4N27O and a molecular weight of 1826.81 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazol-3-amine;2-(4-chlorophenyl)-7-N-ethyl-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-4,7-diamine;2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-7-pyrrol-1-ylquinazolin-4-amine;2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine;2-(3-methoxyphenyl)-7-methyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.

Molecular Properties

• Compound Name: N-[2-(4-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazol-3-amine;2-(4-chlorophenyl)-7-N-ethyl-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-4,7-diamine;2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-7-pyrrol-1-ylquinazolin-4-amine;2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine;2-(3-methoxyphenyl)-7-methyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
• PubChem CID: 157290609
• Molecular Formula: C100H89Cl4N27O
• Molecular Weight: 1826.81 g/mol
• Exact Mass: 1823.65
• IUPAC Name: N-[2-(4-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazol-3-amine;2-(4-chlorophenyl)-7-N-ethyl-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-4,7-diamine;2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-7-pyrrol-1-ylquinazolin-4-amine;2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine;2-(3-methoxyphenyl)-7-methyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
• SMILES: CCNc1ccc2c(Nc3cc(C)[nH]n3)nc(-c3ccc(Cl)cc3)nc2c1.COc1cccc(-c2nc(Nc3cc(C)[nH]n3)c3ccc(C)cc3n2)c1.Cc1cc(Nc2nc(-c3ccc(Cl)cc3)nc3c2CCCC3)n[nH]1.Cc1cc(Nc2nc(-c3ccc(Cl)cc3)nc3cc(-n4cccc4)ccc23)n[nH]1.Clc1ccc(-c2nc3c(c(Nc4n[nH]c5ccccc45)n2)CCC3)cc1
• InChI: InChI=1S/C22H17ClN6.C20H19ClN6.C20H16ClN5.C20H19N5O.C18H18ClN5/c1-14-12-20(28-27-14)25-22-18-9-8-17(29-10-2-3-11-29)13-19(18)24-21(26-22)15-4-6-16(23)7-5-15;1-3-22-15-8-9-16-17(11-15)23-19(13-4-6-14(21)7-5-13)25-20(16)24-18-10-12(2)26-27-18;21-13-10-8-12(9-11-13)18-22-16-7-3-5-14(16)19(23-18)24-20-15-4-1-2-6-17(15)25-26-20;1-12-7-8-16-17(9-12)21-19(14-5-4-6-15(11-14)26-3)23-20(16)22-18-10-13(2)24-25-18;1-11-10-16(24-23-11)21-18-14-4-2-3-5-15(14)20-17(22-18)12-6-8-13(19)9-7-12/h2-13H,1H3,(H2,24,25,26,27,28);4-11,22H,3H2,1-2H3,(H2,23,24,25,26,27);1-2,4,6,8-11H,3,5,7H2,(H2,22,23,24,25,26);4-11H,1-3H3,(H2,21,22,23,24,25);6-10H,2-5H2,1H3,(H2,20,21,22,23,24)
• InChIKey: BATJDXXHYCWXJW-UHFFFAOYSA-N
• XLogP: 24.42
• TPSA: 358.64 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 23
• Rotatable Bonds: 19
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1826.81
LogP ≤ 5	24.42
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazol-3-amine;2-(4-chlorophenyl)-7-N-ethyl-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-4,7-diamine;2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-7-pyrrol-1-ylquinazolin-4-amine;2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine;2-(3-methoxyphenyl)-7-methyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?

The IUPAC name of N-[2-(4-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazol-3-amine;2-(4-chlorophenyl)-7-N-ethyl-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-4,7-diamine;2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-7-pyrrol-1-ylquinazolin-4-amine;2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine;2-(3-methoxyphenyl)-7-methyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (CID 157290609) is N-[2-(4-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazol-3-amine;2-(4-chlorophenyl)-7-N-ethyl-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-4,7-diamine;2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-7-pyrrol-1-ylquinazolin-4-amine;2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine;2-(3-methoxyphenyl)-7-methyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.

What is the SMILES notation for N-[2-(4-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazol-3-amine;2-(4-chlorophenyl)-7-N-ethyl-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-4,7-diamine;2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-7-pyrrol-1-ylquinazolin-4-amine;2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine;2-(3-methoxyphenyl)-7-methyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?

The canonical SMILES for N-[2-(4-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazol-3-amine;2-(4-chlorophenyl)-7-N-ethyl-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-4,7-diamine;2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-7-pyrrol-1-ylquinazolin-4-amine;2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine;2-(3-methoxyphenyl)-7-methyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is CCNc1ccc2c(Nc3cc(C)[nH]n3)nc(-c3ccc(Cl)cc3)nc2c1.COc1cccc(-c2nc(Nc3cc(C)[nH]n3)c3ccc(C)cc3n2)c1.Cc1cc(Nc2nc(-c3ccc(Cl)cc3)nc3c2CCCC3)n[nH]1.Cc1cc(Nc2nc(-c3ccc(Cl)cc3)nc3cc(-n4cccc4)ccc23)n[nH]1.Clc1ccc(-c2nc3c(c(Nc4n[nH]c5ccccc45)n2)CCC3)cc1.

What is the InChIKey of N-[2-(4-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazol-3-amine;2-(4-chlorophenyl)-7-N-ethyl-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-4,7-diamine;2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-7-pyrrol-1-ylquinazolin-4-amine;2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine;2-(3-methoxyphenyl)-7-methyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?

The InChIKey is BATJDXXHYCWXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN6.C20H19ClN6.C20H16ClN5.C20H19N5O.C18H18ClN5/c1-14-12-20(28-27-14)25-22-18-9-8-17(29-10-2-3-11-29)13-19(18)24-21(26-22)15-4-6-16(23)7-5-15;1-3-22-15-8-9-16-17(11-15)23-19(13-4-6-14(21)7-5-13)25-20(16)24-18-10-12(2)26-27-18;21-13-10-8-12(9-11-13)18-22-16-7-3-5-14(16)19(23-18)24-20-15-4-1-2-6-17(15)25-26-20;1-12-7-8-16-17(9-12)21-19(14-5-4-6-15(11-14)26-3)23-20(16)22-18-10-13(2)24-25-18;1-11-10-16(24-23-11)21-18-14-4-2-3-5-15(14)20-17(22-18)12-6-8-13(19)9-7-12/h2-13H,1H3,(H2,24,25,26,27,28);4-11,22H,3H2,1-2H3,(H2,23,24,25,26,27);1-2,4,6,8-11H,3,5,7H2,(H2,22,23,24,25,26);4-11H,1-3H3,(H2,21,22,23,24,25);6-10H,2-5H2,1H3,(H2,20,21,22,23,24).

What are the key properties of N-[2-(4-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazol-3-amine;2-(4-chlorophenyl)-7-N-ethyl-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-4,7-diamine;2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-7-pyrrol-1-ylquinazolin-4-amine;2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine;2-(3-methoxyphenyl)-7-methyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?

N-[2-(4-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazol-3-amine;2-(4-chlorophenyl)-7-N-ethyl-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-4,7-diamine;2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-7-pyrrol-1-ylquinazolin-4-amine;2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine;2-(3-methoxyphenyl)-7-methyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine has a molecular weight of 1826.81 g/mol, XLogP of 24.42, 19 rotatable bonds, 11 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazol-3-amine;2-(4-chlorophenyl)-7-N-ethyl-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-4,7-diamine;2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-7-pyrrol-1-ylquinazolin-4-amine;2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine;2-(3-methoxyphenyl)-7-methyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 157290609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).