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

C33H47N7O3 — CID 175433171

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

N-[(2S)-1,1-dicyclohexyl-3-[[6-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-(2-methoxyethyl)pyrazole-3-carboxamide (PubChem CID 175433171) has the molecular formula C33H47N7O3 and a molecular weight of 589.79 g/mol. Its IUPAC name is N-[(2S)-1,1-dicyclohexyl-3-[[6-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-(2-methoxyethyl)pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1,1-dicyclohexyl-3-[[6-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-(2-methoxyethyl)pyrazole-3-carboxamide
• PubChem CID: 175433171
• Molecular Formula: C33H47N7O3
• Molecular Weight: 589.79 g/mol
• Exact Mass: 589.37
• IUPAC Name: N-[(2S)-1,1-dicyclohexyl-3-[[6-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-(2-methoxyethyl)pyrazole-3-carboxamide
• SMILES: CCc1n[nH]c(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2CCOC)C(C2CCCCC2)C2CCCCC2)cn1
• InChI: InChI=1S/C33H47N7O3/c1-4-26-29(22(2)38-39-26)27-16-15-25(21-34-27)36-33(42)31(37-32(41)28-17-18-35-40(28)19-20-43-3)30(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h15-18,21,23-24,30-31H,4-14,19-20H2,1-3H3,(H,36,42)(H,37,41)(H,38,39)/t31-/m0/s1
• InChIKey: XGDKEIWSOJMRJM-HKBQPEDESA-N
• XLogP: 5.70
• TPSA: 126.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.79
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(2S)-1,1-dicyclohexyl-3-[[6-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-(2-methoxyethyl)pyrazole-3-carboxamide (CID 175433171) is N-[(2S)-1,1-dicyclohexyl-3-[[6-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-(2-methoxyethyl)pyrazole-3-carboxamide.

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

The canonical SMILES for N-[(2S)-1,1-dicyclohexyl-3-[[6-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-(2-methoxyethyl)pyrazole-3-carboxamide is CCc1n[nH]c(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)c2ccnn2CCOC)C(C2CCCCC2)C2CCCCC2)cn1.

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

The InChIKey is XGDKEIWSOJMRJM-HKBQPEDESA-N. The full InChI is InChI=1S/C33H47N7O3/c1-4-26-29(22(2)38-39-26)27-16-15-25(21-34-27)36-33(42)31(37-32(41)28-17-18-35-40(28)19-20-43-3)30(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h15-18,21,23-24,30-31H,4-14,19-20H2,1-3H3,(H,36,42)(H,37,41)(H,38,39)/t31-/m0/s1.

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

N-[(2S)-1,1-dicyclohexyl-3-[[6-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-(2-methoxyethyl)pyrazole-3-carboxamide has a molecular weight of 589.79 g/mol, XLogP of 5.70, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1,1-dicyclohexyl-3-[[6-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-(2-methoxyethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 175433171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).