N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-6-(1-methyl-3-propan-2-ylpyrazol-4-yl)triazolo[1,5-a]pyridine-3-carboxamide

C27H33N9O2 — CID 170633749

About N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-6-(1-methyl-3-propan-2-ylpyrazol-4-yl)triazolo[1,5-a]pyridine-3-carboxamide

N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-6-(1-methyl-3-propan-2-ylpyrazol-4-yl)triazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 170633749) has the molecular formula C27H33N9O2 and a molecular weight of 515.62 g/mol. Its IUPAC name is N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-6-(1-methyl-3-propan-2-ylpyrazol-4-yl)triazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-6-(1-methyl-3-propan-2-ylpyrazol-4-yl)triazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 170633749
• Molecular Formula: C27H33N9O2
• Molecular Weight: 515.62 g/mol
• Exact Mass: 515.28
• IUPAC Name: N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-6-(1-methyl-3-propan-2-ylpyrazol-4-yl)triazolo[1,5-a]pyridine-3-carboxamide
• SMILES: Cc1ncc(NC(=O)CN2CCC[C@@H]2C)cc1NC(=O)c1nnn2cc(-c3cn(C)nc3C(C)C)ccc12
• InChI: InChI=1S/C27H33N9O2/c1-16(2)25-21(14-34(5)32-25)19-8-9-23-26(31-33-36(23)13-19)27(38)30-22-11-20(12-28-18(22)4)29-24(37)15-35-10-6-7-17(35)3/h8-9,11-14,16-17H,6-7,10,15H2,1-5H3,(H,29,37)(H,30,38)/t17-/m0/s1
• InChIKey: HVLWWHIGTMCRPC-KRWDZBQOSA-N
• XLogP: 3.63
• TPSA: 122.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.62
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-6-(1-methyl-3-propan-2-ylpyrazol-4-yl)triazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-6-(1-methyl-3-propan-2-ylpyrazol-4-yl)triazolo[1,5-a]pyridine-3-carboxamide (CID 170633749) is N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-6-(1-methyl-3-propan-2-ylpyrazol-4-yl)triazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-6-(1-methyl-3-propan-2-ylpyrazol-4-yl)triazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-6-(1-methyl-3-propan-2-ylpyrazol-4-yl)triazolo[1,5-a]pyridine-3-carboxamide is Cc1ncc(NC(=O)CN2CCC[C@@H]2C)cc1NC(=O)c1nnn2cc(-c3cn(C)nc3C(C)C)ccc12.

What is the InChIKey of N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-6-(1-methyl-3-propan-2-ylpyrazol-4-yl)triazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is HVLWWHIGTMCRPC-KRWDZBQOSA-N. The full InChI is InChI=1S/C27H33N9O2/c1-16(2)25-21(14-34(5)32-25)19-8-9-23-26(31-33-36(23)13-19)27(38)30-22-11-20(12-28-18(22)4)29-24(37)15-35-10-6-7-17(35)3/h8-9,11-14,16-17H,6-7,10,15H2,1-5H3,(H,29,37)(H,30,38)/t17-/m0/s1.

What are the key properties of N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-6-(1-methyl-3-propan-2-ylpyrazol-4-yl)triazolo[1,5-a]pyridine-3-carboxamide?

N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-6-(1-methyl-3-propan-2-ylpyrazol-4-yl)triazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 515.62 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-6-(1-methyl-3-propan-2-ylpyrazol-4-yl)triazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 170633749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).