N-[5-[(1-tert-butylazetidine-3-carbonyl)amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide

C25H29N9O2 — CID 170635276

About N-[5-[(1-tert-butylazetidine-3-carbonyl)amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide

N-[5-[(1-tert-butylazetidine-3-carbonyl)amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 170635276) has the molecular formula C25H29N9O2 and a molecular weight of 487.57 g/mol. Its IUPAC name is N-[5-[(1-tert-butylazetidine-3-carbonyl)amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(1-tert-butylazetidine-3-carbonyl)amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
• PubChem CID: 170635276
• Molecular Formula: C25H29N9O2
• Molecular Weight: 487.57 g/mol
• Exact Mass: 487.24
• IUPAC Name: N-[5-[(1-tert-butylazetidine-3-carbonyl)amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
• SMILES: Cc1ncc(NC(=O)C2CN(C(C)(C)C)C2)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)ncc12
• InChI: InChI=1S/C25H29N9O2/c1-15-20(6-18(8-26-15)30-23(35)17-12-33(13-17)25(2,3)4)31-24(36)19-9-29-34-14-21(27-10-22(19)34)16-7-28-32(5)11-16/h6-11,14,17H,12-13H2,1-5H3,(H,30,35)(H,31,36)
• InChIKey: CHWDSPDYLHRMTG-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 122.34 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	487.57
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1-tert-butylazetidine-3-carbonyl)amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide?

The IUPAC name of N-[5-[(1-tert-butylazetidine-3-carbonyl)amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 170635276) is N-[5-[(1-tert-butylazetidine-3-carbonyl)amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide.

What is the SMILES notation for N-[5-[(1-tert-butylazetidine-3-carbonyl)amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide?

The canonical SMILES for N-[5-[(1-tert-butylazetidine-3-carbonyl)amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide is Cc1ncc(NC(=O)C2CN(C(C)(C)C)C2)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)ncc12.

What is the InChIKey of N-[5-[(1-tert-butylazetidine-3-carbonyl)amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide?

The InChIKey is CHWDSPDYLHRMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N9O2/c1-15-20(6-18(8-26-15)30-23(35)17-12-33(13-17)25(2,3)4)31-24(36)19-9-29-34-14-21(27-10-22(19)34)16-7-28-32(5)11-16/h6-11,14,17H,12-13H2,1-5H3,(H,30,35)(H,31,36).

What are the key properties of N-[5-[(1-tert-butylazetidine-3-carbonyl)amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide?

N-[5-[(1-tert-butylazetidine-3-carbonyl)amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 487.57 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(1-tert-butylazetidine-3-carbonyl)amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 170635276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).