N-[(2R)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H25N7O3 — CID 146560772

About N-[(2R)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(2R)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146560772) has the molecular formula C20H25N7O3 and a molecular weight of 411.47 g/mol. Its IUPAC name is N-[(2R)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146560772
• Molecular Formula: C20H25N7O3
• Molecular Weight: 411.47 g/mol
• Exact Mass: 411.20
• IUPAC Name: N-[(2R)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(C)c2=O)nc2c(C(=O)NC3CC[C@@]3(C)OC)cnn12
• InChI: InChI=1S/C20H25N7O3/c1-20(30-4)8-7-14(20)24-18(28)12-11-22-27-16(21-2)10-15(25-17(12)27)23-13-6-5-9-26(3)19(13)29/h5-6,9-11,14,21H,7-8H2,1-4H3,(H,23,25)(H,24,28)/t14?,20-/m1/s1
• InChIKey: JVBVVNRJJIEKNX-YBMSBYLISA-N
• XLogP: 1.51
• TPSA: 114.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.47
LogP ≤ 5	1.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(2R)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146560772) is N-[(2R)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(2R)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(2R)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(C)c2=O)nc2c(C(=O)NC3CC[C@@]3(C)OC)cnn12.

What is the InChIKey of N-[(2R)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is JVBVVNRJJIEKNX-YBMSBYLISA-N. The full InChI is InChI=1S/C20H25N7O3/c1-20(30-4)8-7-14(20)24-18(28)12-11-22-27-16(21-2)10-15(25-17(12)27)23-13-6-5-9-26(3)19(13)29/h5-6,9-11,14,21H,7-8H2,1-4H3,(H,23,25)(H,24,28)/t14?,20-/m1/s1.

What are the key properties of N-[(2R)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(2R)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 411.47 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)-5-[(1-methyl-2-oxo-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146560772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).