1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-(3-hydroxycyclobutyl)urea;N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide

C120H106F8N28O7 — CID 157149862

About 1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-(3-hydroxycyclobutyl)urea;N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide

1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-(3-hydroxycyclobutyl)urea;N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 157149862) has the molecular formula C120H106F8N28O7 and a molecular weight of 2204.34 g/mol. Its IUPAC name is 1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-(3-hydroxycyclobutyl)urea;N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-(3-hydroxycyclobutyl)urea;N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
• PubChem CID: 157149862
• Molecular Formula: C120H106F8N28O7
• Molecular Weight: 2204.34 g/mol
• Exact Mass: 2202.87
• IUPAC Name: 1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-(3-hydroxycyclobutyl)urea;N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
• SMILES: CCc1ccccc1-c1cc2cc(NC(=O)NC3CC(O)C3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)C3C4CNCC43)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3F)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3F)ncc2c(N)n1.N#C[C@@H]1C[C@H]1C(=O)Nc1cc2cc(-c3ccccc3C(F)(F)F)nc(N)c2cn1.N#C[C@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3ccccc3C(F)(F)F)nc(N)c2cn1
• InChI: InChI=1S/C21H23N5O2.C21H21N5O.2C20H14F3N5O.2C19H17FN4O/c1-2-12-5-3-4-6-16(12)18-7-13-8-19(23-11-17(13)20(22)25-18)26-21(28)24-14-9-15(27)10-14;1-11-4-2-3-5-13(11)17-6-12-7-18(24-10-14(12)20(22)25-17)26-21(27)19-15-8-23-9-16(15)19;2*21-20(22,23)15-4-2-1-3-12(15)16-6-10-7-17(26-9-14(10)18(25)27-16)28-19(29)13-5-11(13)8-24;2*1-10-4-2-3-5-12(10)16-6-11-7-17(22-9-14(11)18(21)23-16)24-19(25)13-8-15(13)20/h3-8,11,14-15,27H,2,9-10H2,1H3,(H2,22,25)(H2,23,24,26,28);2-7,10,15-16,19,23H,8-9H2,1H3,(H2,22,25)(H,24,26,27);2*1-4,6-7,9,11,13H,5H2,(H2,25,27)(H,26,28,29);2*2-7,9,13,15H,8H2,1H3,(H2,21,23)(H,22,24,25)/t;;2*11-,13+;2*13-,15-/m..1010/s1
• InChIKey: ALCYFNLOZGSBTJ-LBZKUWOPSA-N
• XLogP: 20.64
• TPSA: 577.27 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 28
• Rotatable Bonds: 19
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2204.34
LogP ≤ 5	20.64
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-(3-hydroxycyclobutyl)urea;N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?

The IUPAC name of 1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-(3-hydroxycyclobutyl)urea;N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (CID 157149862) is 1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-(3-hydroxycyclobutyl)urea;N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.

What is the SMILES notation for 1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-(3-hydroxycyclobutyl)urea;N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?

The canonical SMILES for 1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-(3-hydroxycyclobutyl)urea;N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is CCc1ccccc1-c1cc2cc(NC(=O)NC3CC(O)C3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)C3C4CNCC43)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3F)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3F)ncc2c(N)n1.N#C[C@@H]1C[C@H]1C(=O)Nc1cc2cc(-c3ccccc3C(F)(F)F)nc(N)c2cn1.N#C[C@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3ccccc3C(F)(F)F)nc(N)c2cn1.

What is the InChIKey of 1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-(3-hydroxycyclobutyl)urea;N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?

The InChIKey is ALCYFNLOZGSBTJ-LBZKUWOPSA-N. The full InChI is InChI=1S/C21H23N5O2.C21H21N5O.2C20H14F3N5O.2C19H17FN4O/c1-2-12-5-3-4-6-16(12)18-7-13-8-19(23-11-17(13)20(22)25-18)26-21(28)24-14-9-15(27)10-14;1-11-4-2-3-5-13(11)17-6-12-7-18(24-10-14(12)20(22)25-17)26-21(27)19-15-8-23-9-16(15)19;2*21-20(22,23)15-4-2-1-3-12(15)16-6-10-7-17(26-9-14(10)18(25)27-16)28-19(29)13-5-11(13)8-24;2*1-10-4-2-3-5-12(10)16-6-11-7-17(22-9-14(11)18(21)23-16)24-19(25)13-8-15(13)20/h3-8,11,14-15,27H,2,9-10H2,1H3,(H2,22,25)(H2,23,24,26,28);2-7,10,15-16,19,23H,8-9H2,1H3,(H2,22,25)(H,24,26,27);2*1-4,6-7,9,11,13H,5H2,(H2,25,27)(H,26,28,29);2*2-7,9,13,15H,8H2,1H3,(H2,21,23)(H,22,24,25)/t;;2*11-,13+;2*13-,15-/m..1010/s1.

What are the key properties of 1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-(3-hydroxycyclobutyl)urea;N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?

1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-(3-hydroxycyclobutyl)urea;N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 2204.34 g/mol, XLogP of 20.64, 19 rotatable bonds, 15 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-3-(3-hydroxycyclobutyl)urea;N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 157149862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).