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

C26H27N9O — CID 142447635

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

trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(2-methyl-3H-pyrazol-1-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 142447635) has the molecular formula C26H27N9O and a molecular weight of 481.56 g/mol. Its IUPAC name is trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(2-methyl-3H-pyrazol-1-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(2-methyl-3H-pyrazol-1-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
• PubChem CID: 142447635
• Molecular Formula: C26H27N9O
• Molecular Weight: 481.56 g/mol
• Exact Mass: 481.23
• IUPAC Name: trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(2-methyl-3H-pyrazol-1-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
• SMILES: Cc1cc(N2C=CCN2C)ncc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)ncc2c(N)n1
• InChI: InChI=1S/C26H27N9O/c1-15-7-24(35-6-4-5-34(35)3)29-12-20(15)22-8-16-9-23(28-13-21(16)25(27)31-22)32-26(36)19-10-18(19)17-11-30-33(2)14-17/h4,6-9,11-14,18-19H,5,10H2,1-3H3,(H2,27,31)(H,28,32,36)/t18-,19+/m1/s1
• InChIKey: UNFSDWVYLGKHNJ-MOPGFXCFSA-N
• XLogP: 3.24
• TPSA: 118.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.56
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(2-methyl-3H-pyrazol-1-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 142447635) is trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(2-methyl-3H-pyrazol-1-yl)-3-pyridinyl]-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-[4-methyl-6-(2-methyl-3H-pyrazol-1-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

The canonical SMILES for trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(2-methyl-3H-pyrazol-1-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is Cc1cc(N2C=CCN2C)ncc1-c1cc2cc(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-[4-methyl-6-(2-methyl-3H-pyrazol-1-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?

The InChIKey is UNFSDWVYLGKHNJ-MOPGFXCFSA-N. The full InChI is InChI=1S/C26H27N9O/c1-15-7-24(35-6-4-5-34(35)3)29-12-20(15)22-8-16-9-23(28-13-21(16)25(27)31-22)32-26(36)19-10-18(19)17-11-30-33(2)14-17/h4,6-9,11-14,18-19H,5,10H2,1-3H3,(H2,27,31)(H,28,32,36)/t18-,19+/m1/s1.

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

trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(2-methyl-3H-pyrazol-1-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(2-methyl-3H-pyrazol-1-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 142447635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).