N-[(2R)-1,1-dicyclohexyl-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

C32H45N7O2 — CID 175433039

About N-[(2R)-1,1-dicyclohexyl-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

N-[(2R)-1,1-dicyclohexyl-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 175433039) has the molecular formula C32H45N7O2 and a molecular weight of 559.76 g/mol. Its IUPAC name is N-[(2R)-1,1-dicyclohexyl-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1,1-dicyclohexyl-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
• PubChem CID: 175433039
• Molecular Formula: C32H45N7O2
• Molecular Weight: 559.76 g/mol
• Exact Mass: 559.36
• IUPAC Name: N-[(2R)-1,1-dicyclohexyl-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
• SMILES: Cc1n[nH]c(C)c1-c1ccc(NC(=O)[C@H](NC(=O)c2ccnn2C(C)C)C(C2CCCCC2)C2CCCCC2)nc1
• InChI: InChI=1S/C32H45N7O2/c1-20(2)39-26(17-18-34-39)31(40)36-30(29(23-11-7-5-8-12-23)24-13-9-6-10-14-24)32(41)35-27-16-15-25(19-33-27)28-21(3)37-38-22(28)4/h15-20,23-24,29-30H,5-14H2,1-4H3,(H,36,40)(H,37,38)(H,33,35,41)/t30-/m1/s1
• InChIKey: HIBPSHHCWLRJSK-SSEXGKCCSA-N
• XLogP: 6.38
• TPSA: 117.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.76
LogP ≤ 5	6.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1,1-dicyclohexyl-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The IUPAC name of N-[(2R)-1,1-dicyclohexyl-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (CID 175433039) is N-[(2R)-1,1-dicyclohexyl-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

What is the SMILES notation for N-[(2R)-1,1-dicyclohexyl-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The canonical SMILES for N-[(2R)-1,1-dicyclohexyl-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is Cc1n[nH]c(C)c1-c1ccc(NC(=O)[C@H](NC(=O)c2ccnn2C(C)C)C(C2CCCCC2)C2CCCCC2)nc1.

What is the InChIKey of N-[(2R)-1,1-dicyclohexyl-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The InChIKey is HIBPSHHCWLRJSK-SSEXGKCCSA-N. The full InChI is InChI=1S/C32H45N7O2/c1-20(2)39-26(17-18-34-39)31(40)36-30(29(23-11-7-5-8-12-23)24-13-9-6-10-14-24)32(41)35-27-16-15-25(19-33-27)28-21(3)37-38-22(28)4/h15-20,23-24,29-30H,5-14H2,1-4H3,(H,36,40)(H,37,38)(H,33,35,41)/t30-/m1/s1.

What are the key properties of N-[(2R)-1,1-dicyclohexyl-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

N-[(2R)-1,1-dicyclohexyl-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 559.76 g/mol, XLogP of 6.38, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1,1-dicyclohexyl-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 175433039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).