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

C24H31N7O4 — CID 146570252

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

5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146570252) has the molecular formula C24H31N7O4 and a molecular weight of 481.56 g/mol. Its IUPAC name is 5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146570252
• Molecular Formula: C24H31N7O4
• Molecular Weight: 481.56 g/mol
• Exact Mass: 481.24
• IUPAC Name: 5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn([C@H]3CCC[C@H]3O)c2=O)nc2c(C(=O)N[C@@H]3CC[C@@]3(C)OC)cnn12
• InChI: InChI=1S/C24H31N7O4/c1-24(35-3)10-9-18(24)28-22(33)14-13-26-31-20(25-2)12-19(29-21(14)31)27-15-6-5-11-30(23(15)34)16-7-4-8-17(16)32/h5-6,11-13,16-18,25,32H,4,7-10H2,1-3H3,(H,27,29)(H,28,33)/t16-,17+,18+,24+/m0/s1
• InChIKey: NQJRSOYOQMTWPV-UTBIRPSLSA-N
• XLogP: 2.06
• TPSA: 134.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.56
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146570252) is 5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

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

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

The InChIKey is NQJRSOYOQMTWPV-UTBIRPSLSA-N. The full InChI is InChI=1S/C24H31N7O4/c1-24(35-3)10-9-18(24)28-22(33)14-13-26-31-20(25-2)12-19(29-21(14)31)27-15-6-5-11-30(23(15)34)16-7-4-8-17(16)32/h5-6,11-13,16-18,25,32H,4,7-10H2,1-3H3,(H,27,29)(H,28,33)/t16-,17+,18+,24+/m0/s1.

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

5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 2.06, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[1-[(1S,2R)-2-hydroxycyclopentyl]-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxy-2-methylcyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146570252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).