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

C23H24N10O3 — CID 137441504

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

N-cyclopropyl-5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137441504) has the molecular formula C23H24N10O3 and a molecular weight of 488.51 g/mol. Its IUPAC name is N-cyclopropyl-5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137441504
• Molecular Formula: C23H24N10O3
• Molecular Weight: 488.51 g/mol
• Exact Mass: 488.20
• IUPAC Name: N-cyclopropyl-5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(-c3cnc(C(=O)N(C)C)cn3)c2=O)nc2c(C(=O)NC3CC3)cnn12
• InChI: InChI=1S/C23H24N10O3/c1-24-18-9-17(30-20-14(10-27-33(18)20)21(34)28-13-6-7-13)29-15-5-4-8-32(23(15)36)19-12-25-16(11-26-19)22(35)31(2)3/h4-5,8-13,24H,6-7H2,1-3H3,(H,28,34)(H,29,30)
• InChIKey: GXBGGTAIQTWXKB-UHFFFAOYSA-N
• XLogP: 1.05
• TPSA: 151.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.51
LogP ≤ 5	1.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of N-cyclopropyl-5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137441504) is N-cyclopropyl-5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-cyclopropyl-5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(-c3cnc(C(=O)N(C)C)cn3)c2=O)nc2c(C(=O)NC3CC3)cnn12.

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

The InChIKey is GXBGGTAIQTWXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N10O3/c1-24-18-9-17(30-20-14(10-27-33(18)20)21(34)28-13-6-7-13)29-15-5-4-8-32(23(15)36)19-12-25-16(11-26-19)22(35)31(2)3/h4-5,8-13,24H,6-7H2,1-3H3,(H,28,34)(H,29,30).

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

N-cyclopropyl-5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 488.51 g/mol, XLogP of 1.05, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-5-[[1-[5-(dimethylcarbamoyl)pyrazin-2-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137441504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).