N-[(2S)-1,1-dicyclohexyl-3-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methyl-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide

C32H45N7O2 — CID 175433048

About N-[(2S)-1,1-dicyclohexyl-3-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methyl-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide

N-[(2S)-1,1-dicyclohexyl-3-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methyl-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide (PubChem CID 175433048) has the molecular formula C32H45N7O2 and a molecular weight of 559.76 g/mol. Its IUPAC name is N-[(2S)-1,1-dicyclohexyl-3-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methyl-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1,1-dicyclohexyl-3-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methyl-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide
• PubChem CID: 175433048
• Molecular Formula: C32H45N7O2
• Molecular Weight: 559.76 g/mol
• Exact Mass: 559.36
• IUPAC Name: N-[(2S)-1,1-dicyclohexyl-3-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methyl-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide
• SMILES: CCn1nccc1C(=O)N[C@H](C(=O)Nc1cnc(-c2c(C)n[nH]c2C)c(C)c1)C(C1CCCCC1)C1CCCCC1
• InChI: InChI=1S/C32H45N7O2/c1-5-39-26(16-17-34-39)31(40)36-30(28(23-12-8-6-9-13-23)24-14-10-7-11-15-24)32(41)35-25-18-20(2)29(33-19-25)27-21(3)37-38-22(27)4/h16-19,23-24,28,30H,5-15H2,1-4H3,(H,35,41)(H,36,40)(H,37,38)/t30-/m0/s1
• InChIKey: SCDXRGZCTNCPPM-PMERELPUSA-N
• XLogP: 6.13
• 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	6.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1,1-dicyclohexyl-3-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methyl-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide?

The IUPAC name of N-[(2S)-1,1-dicyclohexyl-3-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methyl-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide (CID 175433048) is N-[(2S)-1,1-dicyclohexyl-3-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methyl-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide.

What is the SMILES notation for N-[(2S)-1,1-dicyclohexyl-3-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methyl-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide?

The canonical SMILES for N-[(2S)-1,1-dicyclohexyl-3-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methyl-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide is CCn1nccc1C(=O)N[C@H](C(=O)Nc1cnc(-c2c(C)n[nH]c2C)c(C)c1)C(C1CCCCC1)C1CCCCC1.

What is the InChIKey of N-[(2S)-1,1-dicyclohexyl-3-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methyl-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide?

The InChIKey is SCDXRGZCTNCPPM-PMERELPUSA-N. The full InChI is InChI=1S/C32H45N7O2/c1-5-39-26(16-17-34-39)31(40)36-30(28(23-12-8-6-9-13-23)24-14-10-7-11-15-24)32(41)35-25-18-20(2)29(33-19-25)27-21(3)37-38-22(27)4/h16-19,23-24,28,30H,5-15H2,1-4H3,(H,35,41)(H,36,40)(H,37,38)/t30-/m0/s1.

What are the key properties of N-[(2S)-1,1-dicyclohexyl-3-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methyl-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide?

N-[(2S)-1,1-dicyclohexyl-3-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methyl-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide has a molecular weight of 559.76 g/mol, XLogP of 6.13, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1,1-dicyclohexyl-3-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methyl-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 175433048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).