trans-(1S,2S)-N-[8-amino-6-(6-ethyl-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(3-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-(2-methylphenyl)ethynyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C97H95N25O6 — CID 159091857

About trans-(1S,2S)-N-[8-amino-6-(6-ethyl-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(3-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-(2-methylphenyl)ethynyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

trans-(1S,2S)-N-[8-amino-6-(6-ethyl-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(3-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-(2-methylphenyl)ethynyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 159091857) has the molecular formula C97H95N25O6 and a molecular weight of 1707.00 g/mol. Its IUPAC name is trans-(1S,2S)-N-[8-amino-6-(6-ethyl-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(3-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-(2-methylphenyl)ethynyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: trans-(1S,2S)-N-[8-amino-6-(6-ethyl-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(3-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-(2-methylphenyl)ethynyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
• PubChem CID: 159091857
• Molecular Formula: C97H95N25O6
• Molecular Weight: 1707.00 g/mol
• Exact Mass: 1705.79
• IUPAC Name: trans-(1S,2S)-N-[8-amino-6-(6-ethyl-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(3-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-(2-methylphenyl)ethynyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
• SMILES: CCc1cc(C)c(-c2cc3cc(NC(=O)[C@H]4C[C@@H]4c4cnn(C)c4)ncc3c(N)n2)cn1.COc1cccc(-c2cc3cc(NC(=O)[C@@H]4C[C@H]4c4cnn(C)c4)ncc3c(N)n2)c1C.COc1cccc(-c2cc3cc(NC(=O)[C@H]4C[C@@H]4c4cnn(C)c4)ncc3c(N)n2)c1C.Cc1ccccc1C#Cc1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1
• InChI: InChI=1S/C25H22N6O.C24H25N7O.2C24H24N6O2/c1-15-5-3-4-6-16(15)7-8-19-9-17-10-23(27-13-22(17)24(26)29-19)30-25(32)21-11-20(21)18-12-28-31(2)14-18;1-4-16-5-13(2)19(10-26-16)21-6-14-7-22(27-11-20(14)23(25)29-21)30-24(32)18-8-17(18)15-9-28-31(3)12-15;2*1-13-16(5-4-6-21(13)32-3)20-7-14-8-22(26-11-19(14)23(25)28-20)29-24(31)18-9-17(18)15-10-27-30(2)12-15/h3-6,9-10,12-14,20-21H,11H2,1-2H3,(H2,26,29)(H,27,30,32);5-7,9-12,17-18H,4,8H2,1-3H3,(H2,25,29)(H,27,30,32);2*4-8,10-12,17-18H,9H2,1-3H3,(H2,25,28)(H,26,29,31)/t20-,21+;3*17-,18+/m0110/s1
• InChIKey: KCDZHSGABORLLC-WKPYQXGXSA-N
• XLogP: 14.36
• TPSA: 426.23 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1707.00
LogP ≤ 5	14.36
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[8-amino-6-(6-ethyl-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(3-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-(2-methylphenyl)ethynyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

The IUPAC name of trans-(1S,2S)-N-[8-amino-6-(6-ethyl-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(3-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-(2-methylphenyl)ethynyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 159091857) is trans-(1S,2S)-N-[8-amino-6-(6-ethyl-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(3-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-(2-methylphenyl)ethynyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for trans-(1S,2S)-N-[8-amino-6-(6-ethyl-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(3-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-(2-methylphenyl)ethynyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

The canonical SMILES for trans-(1S,2S)-N-[8-amino-6-(6-ethyl-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(3-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-(2-methylphenyl)ethynyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is CCc1cc(C)c(-c2cc3cc(NC(=O)[C@H]4C[C@@H]4c4cnn(C)c4)ncc3c(N)n2)cn1.COc1cccc(-c2cc3cc(NC(=O)[C@@H]4C[C@H]4c4cnn(C)c4)ncc3c(N)n2)c1C.COc1cccc(-c2cc3cc(NC(=O)[C@H]4C[C@@H]4c4cnn(C)c4)ncc3c(N)n2)c1C.Cc1ccccc1C#Cc1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1.

What is the InChIKey of trans-(1S,2S)-N-[8-amino-6-(6-ethyl-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(3-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-(2-methylphenyl)ethynyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

The InChIKey is KCDZHSGABORLLC-WKPYQXGXSA-N. The full InChI is InChI=1S/C25H22N6O.C24H25N7O.2C24H24N6O2/c1-15-5-3-4-6-16(15)7-8-19-9-17-10-23(27-13-22(17)24(26)29-19)30-25(32)21-11-20(21)18-12-28-31(2)14-18;1-4-16-5-13(2)19(10-26-16)21-6-14-7-22(27-11-20(14)23(25)29-21)30-24(32)18-8-17(18)15-9-28-31(3)12-15;2*1-13-16(5-4-6-21(13)32-3)20-7-14-8-22(26-11-19(14)23(25)28-20)29-24(31)18-9-17(18)15-10-27-30(2)12-15/h3-6,9-10,12-14,20-21H,11H2,1-2H3,(H2,26,29)(H,27,30,32);5-7,9-12,17-18H,4,8H2,1-3H3,(H2,25,29)(H,27,30,32);2*4-8,10-12,17-18H,9H2,1-3H3,(H2,25,28)(H,26,29,31)/t20-,21+;3*17-,18+/m0110/s1.

What are the key properties of trans-(1S,2S)-N-[8-amino-6-(6-ethyl-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(3-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-(2-methylphenyl)ethynyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

trans-(1S,2S)-N-[8-amino-6-(6-ethyl-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(3-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-(2-methylphenyl)ethynyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 1707.00 g/mol, XLogP of 14.36, 18 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1S,2S)-N-[8-amino-6-(6-ethyl-4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(3-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-methoxy-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-(2-methylphenyl)ethynyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 159091857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).