N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide;cis-(1S,2S)-N-[8-amino-6-(4-methyl-6-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4-methyl-6-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;6-N-[(2,2-difluorocyclopropyl)methyl]-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C133H121ClF4N30O5 — CID 161289047

About N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide;cis-(1S,2S)-N-[8-amino-6-(4-methyl-6-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4-methyl-6-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;6-N-[(2,2-difluorocyclopropyl)methyl]-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide;cis-(1S,2S)-N-[8-amino-6-(4-methyl-6-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4-methyl-6-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;6-N-[(2,2-difluorocyclopropyl)methyl]-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 161289047) has the molecular formula C133H121ClF4N30O5 and a molecular weight of 2331.08 g/mol. Its IUPAC name is N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide;cis-(1S,2S)-N-[8-amino-6-(4-methyl-6-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4-methyl-6-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;6-N-[(2,2-difluorocyclopropyl)methyl]-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide;cis-(1S,2S)-N-[8-amino-6-(4-methyl-6-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4-methyl-6-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;6-N-[(2,2-difluorocyclopropyl)methyl]-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
• PubChem CID: 161289047
• Molecular Formula: C133H121ClF4N30O5
• Molecular Weight: 2331.08 g/mol
• Exact Mass: 2328.98
• IUPAC Name: N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide;cis-(1S,2S)-N-[8-amino-6-(4-methyl-6-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4-methyl-6-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;6-N-[(2,2-difluorocyclopropyl)methyl]-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
• SMILES: Cc1ccccc1-c1cc2cc(NC(=O)C3CC34CC4)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NCC(F)F)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NCC3CC3(F)F)ncc2c(N)n1.Cn1cc([C@@H]2C[C@H]2C(=O)Nc2cc3c(Cl)c(-c4ccccc4CCO)nc(N)c3cn2)cn1.[C-]#[N+]C[C@@H]1C[C@H]1C(=O)Nc1cc2cc(-c3cnc(-c4ccccc4)cc3C)nc(N)c2cn1.[C-]#[N+]C[C@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3cnc(-c4ccccc4)cc3C)nc(N)c2cn1
• InChI: InChI=1S/2C26H22N6O.C24H23ClN6O2.C21H20N4O.C19H18F2N4.C17H16F2N4/c2*1-15-8-22(16-6-4-3-5-7-16)29-13-20(15)23-10-17-11-24(30-14-21(17)25(27)31-23)32-26(33)19-9-18(19)12-28-2;1-31-12-14(10-28-31)16-8-18(16)24(33)29-20-9-17-19(11-27-20)23(26)30-22(21(17)25)15-5-3-2-4-13(15)6-7-32;1-12-4-2-3-5-14(12)17-8-13-9-18(23-11-15(13)19(22)24-17)25-20(26)16-10-21(16)6-7-21;1-11-4-2-3-5-14(11)16-6-12-7-17(23-9-13-8-19(13,20)21)24-10-15(12)18(22)25-16;1-10-4-2-3-5-12(10)14-6-11-7-16(22-9-15(18)19)21-8-13(11)17(20)23-14/h2*3-8,10-11,13-14,18-19H,9,12H2,1H3,(H2,27,31)(H,30,32,33);2-5,9-12,16,18,32H,6-8H2,1H3,(H2,26,30)(H,27,29,33);2-5,8-9,11,16H,6-7,10H2,1H3,(H2,22,24)(H,23,25,26);2-7,10,13H,8-9H2,1H3,(H2,22,25)(H,23,24);2-8,15H,9H2,1H3,(H2,20,23)(H,21,22)/t2*18-,19+;16-,18+;;;/m100.../s1
• InChIKey: VGCIREZVYXEPFP-KIVVKTQJSA-N
• XLogP: 25.07
• TPSA: 523.81 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 29
• Rotatable Bonds: 27
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2331.08
LogP ≤ 5	25.07
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide;cis-(1S,2S)-N-[8-amino-6-(4-methyl-6-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4-methyl-6-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;6-N-[(2,2-difluorocyclopropyl)methyl]-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

The IUPAC name of N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide;cis-(1S,2S)-N-[8-amino-6-(4-methyl-6-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4-methyl-6-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;6-N-[(2,2-difluorocyclopropyl)methyl]-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 161289047) is N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide;cis-(1S,2S)-N-[8-amino-6-(4-methyl-6-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4-methyl-6-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;6-N-[(2,2-difluorocyclopropyl)methyl]-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide;cis-(1S,2S)-N-[8-amino-6-(4-methyl-6-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4-methyl-6-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;6-N-[(2,2-difluorocyclopropyl)methyl]-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

The canonical SMILES for N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide;cis-(1S,2S)-N-[8-amino-6-(4-methyl-6-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4-methyl-6-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;6-N-[(2,2-difluorocyclopropyl)methyl]-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is Cc1ccccc1-c1cc2cc(NC(=O)C3CC34CC4)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NCC(F)F)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NCC3CC3(F)F)ncc2c(N)n1.Cn1cc([C@@H]2C[C@H]2C(=O)Nc2cc3c(Cl)c(-c4ccccc4CCO)nc(N)c3cn2)cn1.[C-]#[N+]C[C@@H]1C[C@H]1C(=O)Nc1cc2cc(-c3cnc(-c4ccccc4)cc3C)nc(N)c2cn1.[C-]#[N+]C[C@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3cnc(-c4ccccc4)cc3C)nc(N)c2cn1.

What is the InChIKey of N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide;cis-(1S,2S)-N-[8-amino-6-(4-methyl-6-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4-methyl-6-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;6-N-[(2,2-difluorocyclopropyl)methyl]-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

The InChIKey is VGCIREZVYXEPFP-KIVVKTQJSA-N. The full InChI is InChI=1S/2C26H22N6O.C24H23ClN6O2.C21H20N4O.C19H18F2N4.C17H16F2N4/c2*1-15-8-22(16-6-4-3-5-7-16)29-13-20(15)23-10-17-11-24(30-14-21(17)25(27)31-23)32-26(33)19-9-18(19)12-28-2;1-31-12-14(10-28-31)16-8-18(16)24(33)29-20-9-17-19(11-27-20)23(26)30-22(21(17)25)15-5-3-2-4-13(15)6-7-32;1-12-4-2-3-5-14(12)17-8-13-9-18(23-11-15(13)19(22)24-17)25-20(26)16-10-21(16)6-7-21;1-11-4-2-3-5-14(11)16-6-12-7-17(23-9-13-8-19(13,20)21)24-10-15(12)18(22)25-16;1-10-4-2-3-5-12(10)14-6-11-7-16(22-9-15(18)19)21-8-13(11)17(20)23-14/h2*3-8,10-11,13-14,18-19H,9,12H2,1H3,(H2,27,31)(H,30,32,33);2-5,9-12,16,18,32H,6-8H2,1H3,(H2,26,30)(H,27,29,33);2-5,8-9,11,16H,6-7,10H2,1H3,(H2,22,24)(H,23,25,26);2-7,10,13H,8-9H2,1H3,(H2,22,25)(H,23,24);2-8,15H,9H2,1H3,(H2,20,23)(H,21,22)/t2*18-,19+;16-,18+;;;/m100.../s1.

What are the key properties of N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide;cis-(1S,2S)-N-[8-amino-6-(4-methyl-6-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4-methyl-6-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;6-N-[(2,2-difluorocyclopropyl)methyl]-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide;cis-(1S,2S)-N-[8-amino-6-(4-methyl-6-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4-methyl-6-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;6-N-[(2,2-difluorocyclopropyl)methyl]-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 2331.08 g/mol, XLogP of 25.07, 27 rotatable bonds, 13 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide;cis-(1S,2S)-N-[8-amino-6-(4-methyl-6-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4-methyl-6-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;6-N-[(2,2-difluorocyclopropyl)methyl]-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 161289047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).