benzyl 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;benzyl 5-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;trans-(1R,2R)-N-[8-amino-6-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C116H100F6N30O8 — CID 160742727

About benzyl 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;benzyl 5-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;trans-(1R,2R)-N-[8-amino-6-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

benzyl 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;benzyl 5-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;trans-(1R,2R)-N-[8-amino-6-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 160742727) has the molecular formula C116H100F6N30O8 and a molecular weight of 2156.27 g/mol. Its IUPAC name is benzyl 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;benzyl 5-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;trans-(1R,2R)-N-[8-amino-6-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: benzyl 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;benzyl 5-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;trans-(1R,2R)-N-[8-amino-6-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
• PubChem CID: 160742727
• Molecular Formula: C116H100F6N30O8
• Molecular Weight: 2156.27 g/mol
• Exact Mass: 2154.82
• IUPAC Name: benzyl 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;benzyl 5-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;trans-(1R,2R)-N-[8-amino-6-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
• SMILES: Cc1cc(C(=O)OCc2ccccc2)ncc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1cc(C(=O)OCc2ccccc2)ncc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1ncc(-c2ccc(-c3cc4cc(NC(=O)[C@@H]5C[C@H]5c5cnn(C)c5)ncc4c(N)n3)cn2)cc1C(F)(F)F.Cc1ncc(-c2ccc(-c3cc4cc(NC(=O)[C@H]5C[C@@H]5c5cnn(C)c5)ncc4c(N)n3)cn2)cc1C(F)(F)F
• InChI: InChI=1S/2C30H27N7O3.2C28H23F3N8O/c2*1-17-8-26(30(39)40-16-18-6-4-3-5-7-18)32-13-23(17)25-9-19-10-27(33-14-24(19)28(31)35-25)36-29(38)22-11-21(22)20-12-34-37(2)15-20;2*1-14-22(28(29,30)31)5-17(10-33-14)23-4-3-15(9-34-23)24-6-16-7-25(35-12-21(16)26(32)37-24)38-27(40)20-8-19(20)18-11-36-39(2)13-18/h2*3-10,12-15,21-22H,11,16H2,1-2H3,(H2,31,35)(H,33,36,38);2*3-7,9-13,19-20H,8H2,1-2H3,(H2,32,37)(H,35,38,40)/t2*21-,22+;2*19-,20+/m1010/s1
• InChIKey: RVUHVTMAXHDVLK-DTGPMPSFSA-N
• XLogP: 19.11
• TPSA: 524.82 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 24
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2156.27
LogP ≤ 5	19.11
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of benzyl 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;benzyl 5-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;trans-(1R,2R)-N-[8-amino-6-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

The IUPAC name of benzyl 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;benzyl 5-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;trans-(1R,2R)-N-[8-amino-6-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 160742727) is benzyl 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;benzyl 5-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;trans-(1R,2R)-N-[8-amino-6-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for benzyl 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;benzyl 5-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;trans-(1R,2R)-N-[8-amino-6-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

The canonical SMILES for benzyl 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;benzyl 5-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;trans-(1R,2R)-N-[8-amino-6-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is Cc1cc(C(=O)OCc2ccccc2)ncc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1cc(C(=O)OCc2ccccc2)ncc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1ncc(-c2ccc(-c3cc4cc(NC(=O)[C@@H]5C[C@H]5c5cnn(C)c5)ncc4c(N)n3)cn2)cc1C(F)(F)F.Cc1ncc(-c2ccc(-c3cc4cc(NC(=O)[C@H]5C[C@@H]5c5cnn(C)c5)ncc4c(N)n3)cn2)cc1C(F)(F)F.

What is the InChIKey of benzyl 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;benzyl 5-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;trans-(1R,2R)-N-[8-amino-6-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

The InChIKey is RVUHVTMAXHDVLK-DTGPMPSFSA-N. The full InChI is InChI=1S/2C30H27N7O3.2C28H23F3N8O/c2*1-17-8-26(30(39)40-16-18-6-4-3-5-7-18)32-13-23(17)25-9-19-10-27(33-14-24(19)28(31)35-25)36-29(38)22-11-21(22)20-12-34-37(2)15-20;2*1-14-22(28(29,30)31)5-17(10-33-14)23-4-3-15(9-34-23)24-6-16-7-25(35-12-21(16)26(32)37-24)38-27(40)20-8-19(20)18-11-36-39(2)13-18/h2*3-10,12-15,21-22H,11,16H2,1-2H3,(H2,31,35)(H,33,36,38);2*3-7,9-13,19-20H,8H2,1-2H3,(H2,32,37)(H,35,38,40)/t2*21-,22+;2*19-,20+/m1010/s1.

What are the key properties of benzyl 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;benzyl 5-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;trans-(1R,2R)-N-[8-amino-6-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

benzyl 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;benzyl 5-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;trans-(1R,2R)-N-[8-amino-6-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 2156.27 g/mol, XLogP of 19.11, 24 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;benzyl 5-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;trans-(1R,2R)-N-[8-amino-6-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 160742727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).