N-[(S)-[7-[(1R)-1-cyclopropylethyl]imidazo[1,2-a]pyrimidin-2-yl]-(4,4-difluorocyclohexyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide

C25H32F2N6O — CID 166822853

About N-[(S)-[7-[(1R)-1-cyclopropylethyl]imidazo[1,2-a]pyrimidin-2-yl]-(4,4-difluorocyclohexyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide

N-[(S)-[7-[(1R)-1-cyclopropylethyl]imidazo[1,2-a]pyrimidin-2-yl]-(4,4-difluorocyclohexyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 166822853) has the molecular formula C25H32F2N6O and a molecular weight of 470.57 g/mol. Its IUPAC name is N-[(S)-[7-[(1R)-1-cyclopropylethyl]imidazo[1,2-a]pyrimidin-2-yl]-(4,4-difluorocyclohexyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(S)-[7-[(1R)-1-cyclopropylethyl]imidazo[1,2-a]pyrimidin-2-yl]-(4,4-difluorocyclohexyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide
• PubChem CID: 166822853
• Molecular Formula: C25H32F2N6O
• Molecular Weight: 470.57 g/mol
• Exact Mass: 470.26
• IUPAC Name: N-[(S)-[7-[(1R)-1-cyclopropylethyl]imidazo[1,2-a]pyrimidin-2-yl]-(4,4-difluorocyclohexyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide
• SMILES: CC(C)n1nccc1C(=O)N[C@H](c1cn2ccc([C@H](C)C3CC3)nc2n1)C1CCC(F)(F)CC1
• InChI: InChI=1S/C25H32F2N6O/c1-15(2)33-21(8-12-28-33)23(34)31-22(18-6-10-25(26,27)11-7-18)20-14-32-13-9-19(29-24(32)30-20)16(3)17-4-5-17/h8-9,12-18,22H,4-7,10-11H2,1-3H3,(H,31,34)/t16-,22+/m1/s1
• InChIKey: WQAZQGOPPYJJAN-ZHRRBRCNSA-N
• XLogP: 5.32
• TPSA: 77.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.57
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(S)-[7-[(1R)-1-cyclopropylethyl]imidazo[1,2-a]pyrimidin-2-yl]-(4,4-difluorocyclohexyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide?

The IUPAC name of N-[(S)-[7-[(1R)-1-cyclopropylethyl]imidazo[1,2-a]pyrimidin-2-yl]-(4,4-difluorocyclohexyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide (CID 166822853) is N-[(S)-[7-[(1R)-1-cyclopropylethyl]imidazo[1,2-a]pyrimidin-2-yl]-(4,4-difluorocyclohexyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide.

What is the SMILES notation for N-[(S)-[7-[(1R)-1-cyclopropylethyl]imidazo[1,2-a]pyrimidin-2-yl]-(4,4-difluorocyclohexyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide?

The canonical SMILES for N-[(S)-[7-[(1R)-1-cyclopropylethyl]imidazo[1,2-a]pyrimidin-2-yl]-(4,4-difluorocyclohexyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide is CC(C)n1nccc1C(=O)N[C@H](c1cn2ccc([C@H](C)C3CC3)nc2n1)C1CCC(F)(F)CC1.

What is the InChIKey of N-[(S)-[7-[(1R)-1-cyclopropylethyl]imidazo[1,2-a]pyrimidin-2-yl]-(4,4-difluorocyclohexyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide?

The InChIKey is WQAZQGOPPYJJAN-ZHRRBRCNSA-N. The full InChI is InChI=1S/C25H32F2N6O/c1-15(2)33-21(8-12-28-33)23(34)31-22(18-6-10-25(26,27)11-7-18)20-14-32-13-9-19(29-24(32)30-20)16(3)17-4-5-17/h8-9,12-18,22H,4-7,10-11H2,1-3H3,(H,31,34)/t16-,22+/m1/s1.

What are the key properties of N-[(S)-[7-[(1R)-1-cyclopropylethyl]imidazo[1,2-a]pyrimidin-2-yl]-(4,4-difluorocyclohexyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide?

N-[(S)-[7-[(1R)-1-cyclopropylethyl]imidazo[1,2-a]pyrimidin-2-yl]-(4,4-difluorocyclohexyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(S)-[7-[(1R)-1-cyclopropylethyl]imidazo[1,2-a]pyrimidin-2-yl]-(4,4-difluorocyclohexyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 166822853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).