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

C24H31N7O4 — CID 146806349

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

5-[[1-[(2R)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(3R)-3-methoxycyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146806349) has the molecular formula C24H31N7O4 and a molecular weight of 481.56 g/mol. Its IUPAC name is 5-[[1-[(2R)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(3R)-3-methoxycyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[1-[(2R)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(3R)-3-methoxycyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146806349
• Molecular Formula: C24H31N7O4
• Molecular Weight: 481.56 g/mol
• Exact Mass: 481.24
• IUPAC Name: 5-[[1-[(2R)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(3R)-3-methoxycyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(C3CC[C@H]3O)c2=O)nc2c(C(=O)NC3CCC[C@@H](OC)C3)cnn12
• InChI: InChI=1S/C24H31N7O4/c1-25-21-12-20(28-17-7-4-10-30(24(17)34)18-8-9-19(18)32)29-22-16(13-26-31(21)22)23(33)27-14-5-3-6-15(11-14)35-2/h4,7,10,12-15,18-19,25,32H,3,5-6,8-9,11H2,1-2H3,(H,27,33)(H,28,29)/t14?,15-,18?,19-/m1/s1
• InChIKey: RZEPYVCDCKGHCW-DGSXUWPCSA-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-[(2R)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(3R)-3-methoxycyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-[[1-[(2R)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(3R)-3-methoxycyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146806349) is 5-[[1-[(2R)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(3R)-3-methoxycyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 5-[[1-[(2R)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(3R)-3-methoxycyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(C3CC[C@H]3O)c2=O)nc2c(C(=O)NC3CCC[C@@H](OC)C3)cnn12.

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

The InChIKey is RZEPYVCDCKGHCW-DGSXUWPCSA-N. The full InChI is InChI=1S/C24H31N7O4/c1-25-21-12-20(28-17-7-4-10-30(24(17)34)18-8-9-19(18)32)29-22-16(13-26-31(21)22)23(33)27-14-5-3-6-15(11-14)35-2/h4,7,10,12-15,18-19,25,32H,3,5-6,8-9,11H2,1-2H3,(H,27,33)(H,28,29)/t14?,15-,18?,19-/m1/s1.

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

5-[[1-[(2R)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(3R)-3-methoxycyclohexyl]-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-[(2R)-2-hydroxycyclobutyl]-2-oxo-3-pyridinyl]amino]-N-[(3R)-3-methoxycyclohexyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146806349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).