(2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;3-(2-methylphenyl)-6-N-[(3R)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;3-(2-methylphenyl)-6-N-[(3S)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide

C124H119F3N32O4 — CID 159938994

About (2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;3-(2-methylphenyl)-6-N-[(3R)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;3-(2-methylphenyl)-6-N-[(3S)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide

(2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;3-(2-methylphenyl)-6-N-[(3R)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;3-(2-methylphenyl)-6-N-[(3S)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide (PubChem CID 159938994) has the molecular formula C124H119F3N32O4 and a molecular weight of 2178.53 g/mol. Its IUPAC name is (2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;3-(2-methylphenyl)-6-N-[(3R)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;3-(2-methylphenyl)-6-N-[(3S)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: (2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;3-(2-methylphenyl)-6-N-[(3R)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;3-(2-methylphenyl)-6-N-[(3S)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide
• PubChem CID: 159938994
• Molecular Formula: C124H119F3N32O4
• Molecular Weight: 2178.53 g/mol
• Exact Mass: 2177.00
• IUPAC Name: (2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;3-(2-methylphenyl)-6-N-[(3R)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;3-(2-methylphenyl)-6-N-[(3S)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide
• SMILES: Cc1ccccc1-c1cc2cc(NC(=O)C3C[C@@H]3C(F)(F)F)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3ccn[nH]3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cn[nH]c3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3ccn[nH]3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(N[C@@H]3CCNC3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(N[C@H]3CCNC3)ncc2c(N)n1
• InChI: InChI=1S/3C22H20N6O.C20H17F3N4O.2C19H21N5/c1-12-4-2-3-5-15(12)19-6-13-7-20(24-11-18(13)21(23)27-19)28-22(29)17-8-16(17)14-9-25-26-10-14;2*1-12-4-2-3-5-14(12)19-8-13-9-20(24-11-17(13)21(23)26-19)27-22(29)16-10-15(16)18-6-7-25-28-18;1-10-4-2-3-5-12(10)16-6-11-7-17(25-9-14(11)18(24)26-16)27-19(28)13-8-15(13)20(21,22)23;2*1-12-4-2-3-5-15(12)17-8-13-9-18(23-14-6-7-21-10-14)22-11-16(13)19(20)24-17/h2-7,9-11,16-17H,8H2,1H3,(H2,23,27)(H,25,26)(H,24,28,29);2*2-9,11,15-16H,10H2,1H3,(H2,23,26)(H,25,28)(H,24,27,29);2-7,9,13,15H,8H2,1H3,(H2,24,26)(H,25,27,28);2*2-5,8-9,11,14,21H,6-7,10H2,1H3,(H2,20,24)(H,22,23)/t16-,17+;2*15-,16-;13?,15-;2*14-/m010010/s1
• InChIKey: OAPYICKWRZLDNK-XMPXQSLXSA-N
• XLogP: 21.20
• TPSA: 561.36 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 29
• Rotatable Bonds: 21
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2178.53
LogP ≤ 5	21.20
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;3-(2-methylphenyl)-6-N-[(3R)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;3-(2-methylphenyl)-6-N-[(3S)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide?

The IUPAC name of (2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;3-(2-methylphenyl)-6-N-[(3R)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;3-(2-methylphenyl)-6-N-[(3S)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide (CID 159938994) is (2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;3-(2-methylphenyl)-6-N-[(3R)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;3-(2-methylphenyl)-6-N-[(3S)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for (2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;3-(2-methylphenyl)-6-N-[(3R)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;3-(2-methylphenyl)-6-N-[(3S)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide?

The canonical SMILES for (2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;3-(2-methylphenyl)-6-N-[(3R)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;3-(2-methylphenyl)-6-N-[(3S)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide is Cc1ccccc1-c1cc2cc(NC(=O)C3C[C@@H]3C(F)(F)F)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3ccn[nH]3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cn[nH]c3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3ccn[nH]3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(N[C@@H]3CCNC3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(N[C@H]3CCNC3)ncc2c(N)n1.

What is the InChIKey of (2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;3-(2-methylphenyl)-6-N-[(3R)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;3-(2-methylphenyl)-6-N-[(3S)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide?

The InChIKey is OAPYICKWRZLDNK-XMPXQSLXSA-N. The full InChI is InChI=1S/3C22H20N6O.C20H17F3N4O.2C19H21N5/c1-12-4-2-3-5-15(12)19-6-13-7-20(24-11-18(13)21(23)27-19)28-22(29)17-8-16(17)14-9-25-26-10-14;2*1-12-4-2-3-5-14(12)19-8-13-9-20(24-11-17(13)21(23)26-19)27-22(29)16-10-15(16)18-6-7-25-28-18;1-10-4-2-3-5-12(10)16-6-11-7-17(25-9-14(11)18(24)26-16)27-19(28)13-8-15(13)20(21,22)23;2*1-12-4-2-3-5-15(12)17-8-13-9-18(23-14-6-7-21-10-14)22-11-16(13)19(20)24-17/h2-7,9-11,16-17H,8H2,1H3,(H2,23,27)(H,25,26)(H,24,28,29);2*2-9,11,15-16H,10H2,1H3,(H2,23,26)(H,25,28)(H,24,27,29);2-7,9,13,15H,8H2,1H3,(H2,24,26)(H,25,27,28);2*2-5,8-9,11,14,21H,6-7,10H2,1H3,(H2,20,24)(H,22,23)/t16-,17+;2*15-,16-;13?,15-;2*14-/m010010/s1.

What are the key properties of (2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;3-(2-methylphenyl)-6-N-[(3R)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;3-(2-methylphenyl)-6-N-[(3S)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide?

(2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;3-(2-methylphenyl)-6-N-[(3R)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;3-(2-methylphenyl)-6-N-[(3S)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 2178.53 g/mol, XLogP of 21.20, 21 rotatable bonds, 17 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(trifluoromethyl)cyclopropane-1-carboxamide;3-(2-methylphenyl)-6-N-[(3R)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;3-(2-methylphenyl)-6-N-[(3S)-pyrrolidin-3-yl]-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 159938994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).