N-[8-methyl-5-[6-[(3S)-1-methylpyrrolidin-3-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

C24H25N7O2 — CID 177186994

About N-[8-methyl-5-[6-[(3S)-1-methylpyrrolidin-3-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

N-[8-methyl-5-[6-[(3S)-1-methylpyrrolidin-3-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 177186994) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is N-[8-methyl-5-[6-[(3S)-1-methylpyrrolidin-3-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[8-methyl-5-[6-[(3S)-1-methylpyrrolidin-3-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
• PubChem CID: 177186994
• Molecular Formula: C24H25N7O2
• Molecular Weight: 443.51 g/mol
• Exact Mass: 443.21
• IUPAC Name: N-[8-methyl-5-[6-[(3S)-1-methylpyrrolidin-3-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
• SMILES: Cc1ncc(-c2nc3ccc(O[C@H]4CCN(C)C4)cn3n2)c2cc(NC(=O)C3CC3)ncc12
• InChI: InChI=1S/C24H25N7O2/c1-14-19-10-26-21(27-24(32)15-3-4-15)9-18(19)20(11-25-14)23-28-22-6-5-16(13-31(22)29-23)33-17-7-8-30(2)12-17/h5-6,9-11,13,15,17H,3-4,7-8,12H2,1-2H3,(H,26,27,32)/t17-/m0/s1
• InChIKey: JMHWJFBDFIMCOH-KRWDZBQOSA-N
• XLogP: 3.08
• TPSA: 97.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.51
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[8-methyl-5-[6-[(3S)-1-methylpyrrolidin-3-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

The IUPAC name of N-[8-methyl-5-[6-[(3S)-1-methylpyrrolidin-3-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (CID 177186994) is N-[8-methyl-5-[6-[(3S)-1-methylpyrrolidin-3-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[8-methyl-5-[6-[(3S)-1-methylpyrrolidin-3-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[8-methyl-5-[6-[(3S)-1-methylpyrrolidin-3-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is Cc1ncc(-c2nc3ccc(O[C@H]4CCN(C)C4)cn3n2)c2cc(NC(=O)C3CC3)ncc12.

What is the InChIKey of N-[8-methyl-5-[6-[(3S)-1-methylpyrrolidin-3-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

The InChIKey is JMHWJFBDFIMCOH-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-14-19-10-26-21(27-24(32)15-3-4-15)9-18(19)20(11-25-14)23-28-22-6-5-16(13-31(22)29-23)33-17-7-8-30(2)12-17/h5-6,9-11,13,15,17H,3-4,7-8,12H2,1-2H3,(H,26,27,32)/t17-/m0/s1.

What are the key properties of N-[8-methyl-5-[6-[(3S)-1-methylpyrrolidin-3-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

N-[8-methyl-5-[6-[(3S)-1-methylpyrrolidin-3-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 443.51 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-methyl-5-[6-[(3S)-1-methylpyrrolidin-3-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 177186994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).