10-[3-(1,6-naphthyridin-8-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(8-phenylpyrido[3,2-d]pyrimidin-4-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(8-phenylquinazolin-6-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(3-pyrido[3,4-d]pyrimidin-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

C126H74N14 — CID 161063061

About 10-[3-(1,6-naphthyridin-8-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(8-phenylpyrido[3,2-d]pyrimidin-4-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(8-phenylquinazolin-6-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(3-pyrido[3,4-d]pyrimidin-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

10-[3-(1,6-naphthyridin-8-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(8-phenylpyrido[3,2-d]pyrimidin-4-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(8-phenylquinazolin-6-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(3-pyrido[3,4-d]pyrimidin-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (PubChem CID 161063061) has the molecular formula C126H74N14 and a molecular weight of 1784.08 g/mol. Its IUPAC name is 10-[3-(1,6-naphthyridin-8-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(8-phenylpyrido[3,2-d]pyrimidin-4-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(8-phenylquinazolin-6-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(3-pyrido[3,4-d]pyrimidin-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.

Molecular Properties

• Compound Name: 10-[3-(1,6-naphthyridin-8-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(8-phenylpyrido[3,2-d]pyrimidin-4-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(8-phenylquinazolin-6-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(3-pyrido[3,4-d]pyrimidin-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
• PubChem CID: 161063061
• Molecular Formula: C126H74N14
• Molecular Weight: 1784.08 g/mol
• Exact Mass: 1782.62
• IUPAC Name: 10-[3-(1,6-naphthyridin-8-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(8-phenylpyrido[3,2-d]pyrimidin-4-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(8-phenylquinazolin-6-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(3-pyrido[3,4-d]pyrimidin-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
• SMILES: c1cc(-c2cc3c4ccccc4n4c5ccccc5c(c2)c34)cc(-c2cncc3cccnc23)c1.c1cc(-c2cc3c4ccccc4n4c5ccccc5c(c2)c34)cc(-c2ncc3ccncc3n2)c1.c1ccc(-c2cc(-c3cc4c5ccccc5n5c6ccccc6c(c3)c45)cc3cncnc23)cc1.c1ccc(-c2ccnc3c(-c4cc5c6ccccc6n6c7ccccc7c(c4)c56)ncnc23)cc1
• InChI: InChI=1S/2C32H19N3.2C31H18N4/c1-3-12-29-24(10-1)26-16-23(17-27-25-11-2-4-13-30(25)35(29)32(26)27)20-7-5-8-21(15-20)28-19-33-18-22-9-6-14-34-31(22)28;1-2-8-20(9-3-1)26-15-21(14-23-18-33-19-34-31(23)26)22-16-27-24-10-4-6-12-29(24)35-30-13-7-5-11-25(30)28(17-22)32(27)35;1-3-10-28-23(8-1)25-15-22(16-26-24-9-2-4-11-29(24)35(28)30(25)26)19-6-5-7-20(14-19)31-33-17-21-12-13-32-18-27(21)34-31;1-2-8-19(9-3-1)21-14-15-32-30-28(33-18-34-29(21)30)20-16-24-22-10-4-6-12-26(22)35-27-13-7-5-11-23(27)25(17-20)31(24)35/h2*1-19H;2*1-18H
• InChIKey: UDQNHNJOBGHZQD-UHFFFAOYSA-N
• XLogP: 31.25
• TPSA: 146.54 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1784.08
LogP ≤ 5	31.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 10-[3-(1,6-naphthyridin-8-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(8-phenylpyrido[3,2-d]pyrimidin-4-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(8-phenylquinazolin-6-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(3-pyrido[3,4-d]pyrimidin-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

The IUPAC name of 10-[3-(1,6-naphthyridin-8-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(8-phenylpyrido[3,2-d]pyrimidin-4-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(8-phenylquinazolin-6-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(3-pyrido[3,4-d]pyrimidin-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (CID 161063061) is 10-[3-(1,6-naphthyridin-8-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(8-phenylpyrido[3,2-d]pyrimidin-4-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(8-phenylquinazolin-6-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(3-pyrido[3,4-d]pyrimidin-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.

What is the SMILES notation for 10-[3-(1,6-naphthyridin-8-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(8-phenylpyrido[3,2-d]pyrimidin-4-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(8-phenylquinazolin-6-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(3-pyrido[3,4-d]pyrimidin-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

The canonical SMILES for 10-[3-(1,6-naphthyridin-8-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(8-phenylpyrido[3,2-d]pyrimidin-4-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(8-phenylquinazolin-6-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(3-pyrido[3,4-d]pyrimidin-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is c1cc(-c2cc3c4ccccc4n4c5ccccc5c(c2)c34)cc(-c2cncc3cccnc23)c1.c1cc(-c2cc3c4ccccc4n4c5ccccc5c(c2)c34)cc(-c2ncc3ccncc3n2)c1.c1ccc(-c2cc(-c3cc4c5ccccc5n5c6ccccc6c(c3)c45)cc3cncnc23)cc1.c1ccc(-c2ccnc3c(-c4cc5c6ccccc6n6c7ccccc7c(c4)c56)ncnc23)cc1.

What is the InChIKey of 10-[3-(1,6-naphthyridin-8-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(8-phenylpyrido[3,2-d]pyrimidin-4-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(8-phenylquinazolin-6-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(3-pyrido[3,4-d]pyrimidin-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

The InChIKey is UDQNHNJOBGHZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H19N3.2C31H18N4/c1-3-12-29-24(10-1)26-16-23(17-27-25-11-2-4-13-30(25)35(29)32(26)27)20-7-5-8-21(15-20)28-19-33-18-22-9-6-14-34-31(22)28;1-2-8-20(9-3-1)26-15-21(14-23-18-33-19-34-31(23)26)22-16-27-24-10-4-6-12-29(24)35-30-13-7-5-11-25(30)28(17-22)32(27)35;1-3-10-28-23(8-1)25-15-22(16-26-24-9-2-4-11-29(24)35(28)30(25)26)19-6-5-7-20(14-19)31-33-17-21-12-13-32-18-27(21)34-31;1-2-8-19(9-3-1)21-14-15-32-30-28(33-18-34-29(21)30)20-16-24-22-10-4-6-12-26(22)35-27-13-7-5-11-23(27)25(17-20)31(24)35/h2*1-19H;2*1-18H.

What are the key properties of 10-[3-(1,6-naphthyridin-8-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(8-phenylpyrido[3,2-d]pyrimidin-4-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(8-phenylquinazolin-6-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(3-pyrido[3,4-d]pyrimidin-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?

10-[3-(1,6-naphthyridin-8-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(8-phenylpyrido[3,2-d]pyrimidin-4-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(8-phenylquinazolin-6-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(3-pyrido[3,4-d]pyrimidin-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene has a molecular weight of 1784.08 g/mol, XLogP of 31.25, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3-(1,6-naphthyridin-8-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(8-phenylpyrido[3,2-d]pyrimidin-4-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(8-phenylquinazolin-6-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(3-pyrido[3,4-d]pyrimidin-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 161063061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).