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

C22H24N8O4 — CID 139425638

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

N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[[1-(2-methyl-1,3-oxazol-5-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 139425638) has the molecular formula C22H24N8O4 and a molecular weight of 464.49 g/mol. Its IUPAC name is N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[[1-(2-methyl-1,3-oxazol-5-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[[1-(2-methyl-1,3-oxazol-5-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 139425638
• Molecular Formula: C22H24N8O4
• Molecular Weight: 464.49 g/mol
• Exact Mass: 464.19
• IUPAC Name: N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[[1-(2-methyl-1,3-oxazol-5-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(-c3cnc(C)o3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)cnn12
• InChI: InChI=1S/C22H24N8O4/c1-12-24-11-19(34-12)29-8-4-5-15(22(29)32)26-17-9-18(23-2)30-20(28-17)13(10-25-30)21(31)27-14-6-7-16(14)33-3/h4-5,8-11,14,16,23H,6-7H2,1-3H3,(H,26,28)(H,27,31)/t14-,16-/m1/s1
• InChIKey: UKWRWROHRKULGZ-GDBMZVCRSA-N
• XLogP: 1.87
• TPSA: 140.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.49
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[[1-(2-methyl-1,3-oxazol-5-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 139425638) is N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[[1-(2-methyl-1,3-oxazol-5-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[[1-(2-methyl-1,3-oxazol-5-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(-c3cnc(C)o3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)cnn12.

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

The InChIKey is UKWRWROHRKULGZ-GDBMZVCRSA-N. The full InChI is InChI=1S/C22H24N8O4/c1-12-24-11-19(34-12)29-8-4-5-15(22(29)32)26-17-9-18(23-2)30-20(28-17)13(10-25-30)21(31)27-14-6-7-16(14)33-3/h4-5,8-11,14,16,23H,6-7H2,1-3H3,(H,26,28)(H,27,31)/t14-,16-/m1/s1.

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

N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[[1-(2-methyl-1,3-oxazol-5-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 464.49 g/mol, XLogP of 1.87, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-[[1-(2-methyl-1,3-oxazol-5-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 139425638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).