4-(2-amino-5-azaspiro[2.3]hexan-5-yl)-6-chloro-N-methyl-2-pyridin-3-yloxy-9H-pyrimido[4,5-b]indol-8-amine;4-(2-amino-5-azaspiro[2.5]octan-5-yl)-6-chloro-N-methyl-2-quinolin-3-yloxy-9H-pyrimido[4,5-b]indol-8-amine

C48H46Cl2N14O2 — CID 158012608

About 4-(2-amino-5-azaspiro[2.3]hexan-5-yl)-6-chloro-N-methyl-2-pyridin-3-yloxy-9H-pyrimido[4,5-b]indol-8-amine;4-(2-amino-5-azaspiro[2.5]octan-5-yl)-6-chloro-N-methyl-2-quinolin-3-yloxy-9H-pyrimido[4,5-b]indol-8-amine

4-(2-amino-5-azaspiro[2.3]hexan-5-yl)-6-chloro-N-methyl-2-pyridin-3-yloxy-9H-pyrimido[4,5-b]indol-8-amine;4-(2-amino-5-azaspiro[2.5]octan-5-yl)-6-chloro-N-methyl-2-quinolin-3-yloxy-9H-pyrimido[4,5-b]indol-8-amine (PubChem CID 158012608) has the molecular formula C48H46Cl2N14O2 and a molecular weight of 921.90 g/mol. Its IUPAC name is 4-(2-amino-5-azaspiro[2.3]hexan-5-yl)-6-chloro-N-methyl-2-pyridin-3-yloxy-9H-pyrimido[4,5-b]indol-8-amine;4-(2-amino-5-azaspiro[2.5]octan-5-yl)-6-chloro-N-methyl-2-quinolin-3-yloxy-9H-pyrimido[4,5-b]indol-8-amine.

Molecular Properties

• Compound Name: 4-(2-amino-5-azaspiro[2.3]hexan-5-yl)-6-chloro-N-methyl-2-pyridin-3-yloxy-9H-pyrimido[4,5-b]indol-8-amine;4-(2-amino-5-azaspiro[2.5]octan-5-yl)-6-chloro-N-methyl-2-quinolin-3-yloxy-9H-pyrimido[4,5-b]indol-8-amine
• PubChem CID: 158012608
• Molecular Formula: C48H46Cl2N14O2
• Molecular Weight: 921.90 g/mol
• Exact Mass: 920.33
• IUPAC Name: 4-(2-amino-5-azaspiro[2.3]hexan-5-yl)-6-chloro-N-methyl-2-pyridin-3-yloxy-9H-pyrimido[4,5-b]indol-8-amine;4-(2-amino-5-azaspiro[2.5]octan-5-yl)-6-chloro-N-methyl-2-quinolin-3-yloxy-9H-pyrimido[4,5-b]indol-8-amine
• SMILES: CNc1cc(Cl)cc2c1[nH]c1nc(Oc3cccnc3)nc(N3CC4(CC4N)C3)c12.CNc1cc(Cl)cc2c1[nH]c1nc(Oc3cnc4ccccc4c3)nc(N3CCCC4(CC4N)C3)c12
• InChI: InChI=1S/C27H26ClN7O.C21H20ClN7O/c1-30-20-11-16(28)10-18-22-24(32-23(18)20)33-26(36-17-9-15-5-2-3-6-19(15)31-13-17)34-25(22)35-8-4-7-27(14-35)12-21(27)29;1-24-14-6-11(22)5-13-16-18(26-17(13)14)27-20(30-12-3-2-4-25-8-12)28-19(16)29-9-21(10-29)7-15(21)23/h2-3,5-6,9-11,13,21,30H,4,7-8,12,14,29H2,1H3,(H,32,33,34);2-6,8,15,24H,7,9-10,23H2,1H3,(H,26,27,28)
• InChIKey: FFBPJSBJBUHJQH-UHFFFAOYSA-N
• XLogP: 9.00
• TPSA: 209.96 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	921.90
LogP ≤ 5	9.00
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-azaspiro[2.3]hexan-5-yl)-6-chloro-N-methyl-2-pyridin-3-yloxy-9H-pyrimido[4,5-b]indol-8-amine;4-(2-amino-5-azaspiro[2.5]octan-5-yl)-6-chloro-N-methyl-2-quinolin-3-yloxy-9H-pyrimido[4,5-b]indol-8-amine?

The IUPAC name of 4-(2-amino-5-azaspiro[2.3]hexan-5-yl)-6-chloro-N-methyl-2-pyridin-3-yloxy-9H-pyrimido[4,5-b]indol-8-amine;4-(2-amino-5-azaspiro[2.5]octan-5-yl)-6-chloro-N-methyl-2-quinolin-3-yloxy-9H-pyrimido[4,5-b]indol-8-amine (CID 158012608) is 4-(2-amino-5-azaspiro[2.3]hexan-5-yl)-6-chloro-N-methyl-2-pyridin-3-yloxy-9H-pyrimido[4,5-b]indol-8-amine;4-(2-amino-5-azaspiro[2.5]octan-5-yl)-6-chloro-N-methyl-2-quinolin-3-yloxy-9H-pyrimido[4,5-b]indol-8-amine.

What is the SMILES notation for 4-(2-amino-5-azaspiro[2.3]hexan-5-yl)-6-chloro-N-methyl-2-pyridin-3-yloxy-9H-pyrimido[4,5-b]indol-8-amine;4-(2-amino-5-azaspiro[2.5]octan-5-yl)-6-chloro-N-methyl-2-quinolin-3-yloxy-9H-pyrimido[4,5-b]indol-8-amine?

The canonical SMILES for 4-(2-amino-5-azaspiro[2.3]hexan-5-yl)-6-chloro-N-methyl-2-pyridin-3-yloxy-9H-pyrimido[4,5-b]indol-8-amine;4-(2-amino-5-azaspiro[2.5]octan-5-yl)-6-chloro-N-methyl-2-quinolin-3-yloxy-9H-pyrimido[4,5-b]indol-8-amine is CNc1cc(Cl)cc2c1[nH]c1nc(Oc3cccnc3)nc(N3CC4(CC4N)C3)c12.CNc1cc(Cl)cc2c1[nH]c1nc(Oc3cnc4ccccc4c3)nc(N3CCCC4(CC4N)C3)c12.

What is the InChIKey of 4-(2-amino-5-azaspiro[2.3]hexan-5-yl)-6-chloro-N-methyl-2-pyridin-3-yloxy-9H-pyrimido[4,5-b]indol-8-amine;4-(2-amino-5-azaspiro[2.5]octan-5-yl)-6-chloro-N-methyl-2-quinolin-3-yloxy-9H-pyrimido[4,5-b]indol-8-amine?

The InChIKey is FFBPJSBJBUHJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN7O.C21H20ClN7O/c1-30-20-11-16(28)10-18-22-24(32-23(18)20)33-26(36-17-9-15-5-2-3-6-19(15)31-13-17)34-25(22)35-8-4-7-27(14-35)12-21(27)29;1-24-14-6-11(22)5-13-16-18(26-17(13)14)27-20(30-12-3-2-4-25-8-12)28-19(16)29-9-21(10-29)7-15(21)23/h2-3,5-6,9-11,13,21,30H,4,7-8,12,14,29H2,1H3,(H,32,33,34);2-6,8,15,24H,7,9-10,23H2,1H3,(H,26,27,28).

What are the key properties of 4-(2-amino-5-azaspiro[2.3]hexan-5-yl)-6-chloro-N-methyl-2-pyridin-3-yloxy-9H-pyrimido[4,5-b]indol-8-amine;4-(2-amino-5-azaspiro[2.5]octan-5-yl)-6-chloro-N-methyl-2-quinolin-3-yloxy-9H-pyrimido[4,5-b]indol-8-amine?

4-(2-amino-5-azaspiro[2.3]hexan-5-yl)-6-chloro-N-methyl-2-pyridin-3-yloxy-9H-pyrimido[4,5-b]indol-8-amine;4-(2-amino-5-azaspiro[2.5]octan-5-yl)-6-chloro-N-methyl-2-quinolin-3-yloxy-9H-pyrimido[4,5-b]indol-8-amine has a molecular weight of 921.90 g/mol, XLogP of 9.00, 8 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-amino-5-azaspiro[2.3]hexan-5-yl)-6-chloro-N-methyl-2-pyridin-3-yloxy-9H-pyrimido[4,5-b]indol-8-amine;4-(2-amino-5-azaspiro[2.5]octan-5-yl)-6-chloro-N-methyl-2-quinolin-3-yloxy-9H-pyrimido[4,5-b]indol-8-amine is sourced from PubChem (CID 158012608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).