N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(4-hydroxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H28FN7O3 — CID 137450124

About N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(4-hydroxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(4-hydroxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137450124) has the molecular formula C23H28FN7O3 and a molecular weight of 469.52 g/mol. Its IUPAC name is N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(4-hydroxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(4-hydroxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137450124
• Molecular Formula: C23H28FN7O3
• Molecular Weight: 469.52 g/mol
• Exact Mass: 469.22
• IUPAC Name: N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(4-hydroxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(C3CCC(C)(O)CC3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12
• InChI: InChI=1S/C23H28FN7O3/c1-23(34)7-5-13(6-8-23)30-9-3-4-16(22(30)33)27-18-11-19(25-2)31-20(29-18)14(12-26-31)21(32)28-17-10-15(17)24/h3-4,9,11-13,15,17,25,34H,5-8,10H2,1-2H3,(H,27,29)(H,28,32)/t13?,15-,17+,23?/m1/s1
• InChIKey: LHVPKKNOWPIFCP-IAFBCQBWSA-N
• XLogP: 2.38
• TPSA: 125.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.52
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(4-hydroxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(4-hydroxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137450124) is N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(4-hydroxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(4-hydroxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(4-hydroxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(C3CCC(C)(O)CC3)c2=O)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.

What is the InChIKey of N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(4-hydroxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is LHVPKKNOWPIFCP-IAFBCQBWSA-N. The full InChI is InChI=1S/C23H28FN7O3/c1-23(34)7-5-13(6-8-23)30-9-3-4-16(22(30)33)27-18-11-19(25-2)31-20(29-18)14(12-26-31)21(32)28-17-10-15(17)24/h3-4,9,11-13,15,17,25,34H,5-8,10H2,1-2H3,(H,27,29)(H,28,32)/t13?,15-,17+,23?/m1/s1.

What are the key properties of N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(4-hydroxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(4-hydroxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 469.52 g/mol, XLogP of 2.38, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,2R)-2-fluorocyclopropyl]-5-[[1-(4-hydroxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137450124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).