N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-(4-methyl-1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H22N8O4 — CID 137449975

About N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-(4-methyl-1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-(4-methyl-1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449975) has the molecular formula C21H22N8O4 and a molecular weight of 450.46 g/mol. Its IUPAC name is N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-(4-methyl-1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-(4-methyl-1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137449975
• Molecular Formula: C21H22N8O4
• Molecular Weight: 450.46 g/mol
• Exact Mass: 450.18
• IUPAC Name: N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-(4-methyl-1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(-c3nc(C)co3)c2=O)nc2c(C(=O)NC3CC[C@H]3O)cnn12
• InChI: InChI=1S/C21H22N8O4/c1-11-10-33-21(24-11)28-7-3-4-14(20(28)32)25-16-8-17(22-2)29-18(27-16)12(9-23-29)19(31)26-13-5-6-15(13)30/h3-4,7-10,13,15,22,30H,5-6H2,1-2H3,(H,25,27)(H,26,31)/t13?,15-/m1/s1
• InChIKey: UNTWDFNSUMTVSP-AWKYBWMHSA-N
• XLogP: 1.22
• TPSA: 151.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.46
LogP ≤ 5	1.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-(4-methyl-1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-(4-methyl-1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449975) is N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-(4-methyl-1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-(4-methyl-1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-(4-methyl-1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(-c3nc(C)co3)c2=O)nc2c(C(=O)NC3CC[C@H]3O)cnn12.

What is the InChIKey of N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-(4-methyl-1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is UNTWDFNSUMTVSP-AWKYBWMHSA-N. The full InChI is InChI=1S/C21H22N8O4/c1-11-10-33-21(24-11)28-7-3-4-14(20(28)32)25-16-8-17(22-2)29-18(27-16)12(9-23-29)19(31)26-13-5-6-15(13)30/h3-4,7-10,13,15,22,30H,5-6H2,1-2H3,(H,25,27)(H,26,31)/t13?,15-/m1/s1.

What are the key properties of N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-(4-methyl-1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-(4-methyl-1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 450.46 g/mol, XLogP of 1.22, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-(4-methyl-1,3-oxazol-2-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).