N-cyclobutyl-5-[[1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H27N9O3 — CID 137449972

About N-cyclobutyl-5-[[1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclobutyl-5-[[1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449972) has the molecular formula C24H27N9O3 and a molecular weight of 489.54 g/mol. Its IUPAC name is N-cyclobutyl-5-[[1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclobutyl-5-[[1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137449972
• Molecular Formula: C24H27N9O3
• Molecular Weight: 489.54 g/mol
• Exact Mass: 489.22
• IUPAC Name: N-cyclobutyl-5-[[1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(-c3cnc(C(C)(C)O)cn3)c2=O)nc2c(C(=O)NC3CCC3)cnn12
• InChI: InChI=1S/C24H27N9O3/c1-24(2,36)17-12-27-20(13-26-17)32-9-5-8-16(23(32)35)30-18-10-19(25-3)33-21(31-18)15(11-28-33)22(34)29-14-6-4-7-14/h5,8-14,25,36H,4,6-7H2,1-3H3,(H,29,34)(H,30,31)
• InChIKey: GCOLBEKPJKJXFM-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 151.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.54
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-[[1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-cyclobutyl-5-[[1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449972) is N-cyclobutyl-5-[[1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-cyclobutyl-5-[[1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-cyclobutyl-5-[[1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(-c3cnc(C(C)(C)O)cn3)c2=O)nc2c(C(=O)NC3CCC3)cnn12.

What is the InChIKey of N-cyclobutyl-5-[[1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is GCOLBEKPJKJXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N9O3/c1-24(2,36)17-12-27-20(13-26-17)32-9-5-8-16(23(32)35)30-18-10-19(25-3)33-21(31-18)15(11-28-33)22(34)29-14-6-4-7-14/h5,8-14,25,36H,4,6-7H2,1-3H3,(H,29,34)(H,30,31).

What are the key properties of N-cyclobutyl-5-[[1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-cyclobutyl-5-[[1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 489.54 g/mol, XLogP of 1.97, 7 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclobutyl-5-[[1-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).