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

C32H45N7O3 — CID 175433187

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

N-[(2S)-1,1-dicyclohexyl-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-hydroxy-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 175433187) has the molecular formula C32H45N7O3 and a molecular weight of 575.76 g/mol. Its IUPAC name is N-[(2S)-1,1-dicyclohexyl-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-hydroxy-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1,1-dicyclohexyl-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-hydroxy-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
• PubChem CID: 175433187
• Molecular Formula: C32H45N7O3
• Molecular Weight: 575.76 g/mol
• Exact Mass: 575.36
• IUPAC Name: N-[(2S)-1,1-dicyclohexyl-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-hydroxy-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
• SMILES: Cc1n[nH]c(C)c1-c1cnc(NC(=O)[C@@H](NC(=O)c2ccnn2C(C)C)C(C2CCCCC2)C2CCCCC2)c(O)c1
• InChI: InChI=1S/C32H45N7O3/c1-19(2)39-25(15-16-34-39)31(41)35-29(28(22-11-7-5-8-12-22)23-13-9-6-10-14-23)32(42)36-30-26(40)17-24(18-33-30)27-20(3)37-38-21(27)4/h15-19,22-23,28-29,40H,5-14H2,1-4H3,(H,35,41)(H,37,38)(H,33,36,42)/t29-/m0/s1
• InChIKey: LKYWTSNNQAFWAK-LJAQVGFWSA-N
• XLogP: 6.09
• TPSA: 137.82 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.76
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(2S)-1,1-dicyclohexyl-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-hydroxy-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (CID 175433187) is N-[(2S)-1,1-dicyclohexyl-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-hydroxy-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

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

The canonical SMILES for N-[(2S)-1,1-dicyclohexyl-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-hydroxy-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is Cc1n[nH]c(C)c1-c1cnc(NC(=O)[C@@H](NC(=O)c2ccnn2C(C)C)C(C2CCCCC2)C2CCCCC2)c(O)c1.

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

The InChIKey is LKYWTSNNQAFWAK-LJAQVGFWSA-N. The full InChI is InChI=1S/C32H45N7O3/c1-19(2)39-25(15-16-34-39)31(41)35-29(28(22-11-7-5-8-12-22)23-13-9-6-10-14-23)32(42)36-30-26(40)17-24(18-33-30)27-20(3)37-38-21(27)4/h15-19,22-23,28-29,40H,5-14H2,1-4H3,(H,35,41)(H,37,38)(H,33,36,42)/t29-/m0/s1.

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

N-[(2S)-1,1-dicyclohexyl-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-hydroxy-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 575.76 g/mol, XLogP of 6.09, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1,1-dicyclohexyl-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-hydroxy-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 175433187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).