cis-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide

C24H22N8O — CID 140921089

About cis-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide

cis-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide (PubChem CID 140921089) has the molecular formula C24H22N8O and a molecular weight of 438.50 g/mol. Its IUPAC name is cis-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide
• PubChem CID: 140921089
• Molecular Formula: C24H22N8O
• Molecular Weight: 438.50 g/mol
• Exact Mass: 438.19
• IUPAC Name: cis-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide
• SMILES: [C-]#[N+]C[C@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3cnc(-c4cnn(C)c4)cc3C)nc(N)c2cn1
• InChI: InChI=1S/C24H22N8O/c1-13-4-20(16-9-29-32(3)12-16)27-10-18(13)21-6-14-7-22(28-11-19(14)23(25)30-21)31-24(33)17-5-15(17)8-26-2/h4,6-7,9-12,15,17H,5,8H2,1,3H3,(H2,25,30)(H,28,31,33)/t15-,17+/m1/s1
• InChIKey: OYRUOXMCVCBMCJ-WBVHZDCISA-N
• XLogP: 3.48
• TPSA: 115.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.50
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide?

The IUPAC name of cis-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide (CID 140921089) is cis-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide?

The canonical SMILES for cis-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide is [C-]#[N+]C[C@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3cnc(-c4cnn(C)c4)cc3C)nc(N)c2cn1.

What is the InChIKey of cis-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide?

The InChIKey is OYRUOXMCVCBMCJ-WBVHZDCISA-N. The full InChI is InChI=1S/C24H22N8O/c1-13-4-20(16-9-29-32(3)12-16)27-10-18(13)21-6-14-7-22(28-11-19(14)23(25)30-21)31-24(33)17-5-15(17)8-26-2/h4,6-7,9-12,15,17H,5,8H2,1,3H3,(H2,25,30)(H,28,31,33)/t15-,17+/m1/s1.

What are the key properties of cis-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide?

cis-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide has a molecular weight of 438.50 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 140921089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).