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

C24H31N7O4 — CID 137450419

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

N-[(1R,3R)-3-hydroxycyclohexyl]-7-(methylamino)-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137450419) has the molecular formula C24H31N7O4 and a molecular weight of 481.56 g/mol. Its IUPAC name is N-[(1R,3R)-3-hydroxycyclohexyl]-7-(methylamino)-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,3R)-3-hydroxycyclohexyl]-7-(methylamino)-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137450419
• Molecular Formula: C24H31N7O4
• Molecular Weight: 481.56 g/mol
• Exact Mass: 481.24
• IUPAC Name: N-[(1R,3R)-3-hydroxycyclohexyl]-7-(methylamino)-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(C3CCCOC3)c2=O)nc2c(C(=O)N[C@@H]3CCC[C@@H](O)C3)cnn12
• InChI: InChI=1S/C24H31N7O4/c1-25-21-12-20(28-19-8-3-9-30(24(19)34)16-6-4-10-35-14-16)29-22-18(13-26-31(21)22)23(33)27-15-5-2-7-17(32)11-15/h3,8-9,12-13,15-17,25,32H,2,4-7,10-11,14H2,1H3,(H,27,33)(H,28,29)/t15-,16?,17-/m1/s1
• InChIKey: UKRJUZZIVHQTEV-PWZMFNOBSA-N
• XLogP: 2.06
• TPSA: 134.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• 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 N-[(1R,3R)-3-hydroxycyclohexyl]-7-(methylamino)-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(1R,3R)-3-hydroxycyclohexyl]-7-(methylamino)-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137450419) is N-[(1R,3R)-3-hydroxycyclohexyl]-7-(methylamino)-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-[(1R,3R)-3-hydroxycyclohexyl]-7-(methylamino)-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(C3CCCOC3)c2=O)nc2c(C(=O)N[C@@H]3CCC[C@@H](O)C3)cnn12.

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

The InChIKey is UKRJUZZIVHQTEV-PWZMFNOBSA-N. The full InChI is InChI=1S/C24H31N7O4/c1-25-21-12-20(28-19-8-3-9-30(24(19)34)16-6-4-10-35-14-16)29-22-18(13-26-31(21)22)23(33)27-15-5-2-7-17(32)11-15/h3,8-9,12-13,15-17,25,32H,2,4-7,10-11,14H2,1H3,(H,27,33)(H,28,29)/t15-,16?,17-/m1/s1.

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

N-[(1R,3R)-3-hydroxycyclohexyl]-7-(methylamino)-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 2.06, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,3R)-3-hydroxycyclohexyl]-7-(methylamino)-5-[[1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137450419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).