trans-(1S,2S)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C24H24N6O — CID 157256552

About trans-(1S,2S)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

trans-(1S,2S)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 157256552) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is trans-(1S,2S)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: trans-(1S,2S)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
• PubChem CID: 157256552
• Molecular Formula: C24H24N6O
• Molecular Weight: 412.50 g/mol
• Exact Mass: 412.20
• IUPAC Name: trans-(1S,2S)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
• SMILES: Cc1ccc(C)c(-c2cc3cc(NC(=O)[C@H]4C[C@@H]4c4cnn(C)c4)ncc3c(N)n2)c1
• InChI: InChI=1S/C24H24N6O/c1-13-4-5-14(2)17(6-13)21-7-15-8-22(26-11-20(15)23(25)28-21)29-24(31)19-9-18(19)16-10-27-30(3)12-16/h4-8,10-12,18-19H,9H2,1-3H3,(H2,25,28)(H,26,29,31)/t18-,19+/m1/s1
• InChIKey: DVJCVKUKLIARAU-MOPGFXCFSA-N
• XLogP: 3.97
• TPSA: 98.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.50
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

The IUPAC name of trans-(1S,2S)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 157256552) is trans-(1S,2S)-N-[8-amino-6-(2,5-dimethylphenyl)-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-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

The canonical SMILES for trans-(1S,2S)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is Cc1ccc(C)c(-c2cc3cc(NC(=O)[C@H]4C[C@@H]4c4cnn(C)c4)ncc3c(N)n2)c1.

What is the InChIKey of trans-(1S,2S)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

The InChIKey is DVJCVKUKLIARAU-MOPGFXCFSA-N. The full InChI is InChI=1S/C24H24N6O/c1-13-4-5-14(2)17(6-13)21-7-15-8-22(26-11-20(15)23(25)28-21)29-24(31)19-9-18(19)16-10-27-30(3)12-16/h4-8,10-12,18-19H,9H2,1-3H3,(H2,25,28)(H,26,29,31)/t18-,19+/m1/s1.

What are the key properties of trans-(1S,2S)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

trans-(1S,2S)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 412.50 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1S,2S)-N-[8-amino-6-(2,5-dimethylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 157256552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).