N-[4-[ethyl(propanoyl)amino]cyclohexyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide

C29H39FN6O4 — CID 163295268

IUPACN-[4-[ethyl(propanoyl)amino]cyclohexyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide
SMILESCCC(=O)N(CC)C1CCC(NC(=O)C2CCN(C(=O)c3cc(-c4cc(OC)ncc4F)n[nH]3)C3(CC3)C2)CC1
InChIInChI=1S/C29H39FN6O4/c1-4-26(37)35(5-2)20-8-6-19(7-9-20)32-27(38)18-10-13-36(29(16-18)11-12-29)28(39)24-15-23(33-34-24)21-14-25(40-3)31-17-22(21)30/h14-15,17-20H,4-13,16H2,1-3H3,(H,32,38)(H,33,34)
InChIKeyWGMVXXZQCFVQOH-UHFFFAOYSA-N
MW554.67 g/mol
LogP3.69
Rot. Bonds8

About N-[4-[ethyl(propanoyl)amino]cyclohexyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide

N-[4-[ethyl(propanoyl)amino]cyclohexyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide (PubChem CID 163295268) has the molecular formula C29H39FN6O4 and a molecular weight of 554.67 g/mol. Its IUPAC name is N-[4-[ethyl(propanoyl)amino]cyclohexyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide.

Molecular Properties

Compound NameN-[4-[ethyl(propanoyl)amino]cyclohexyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide
PubChem CID163295268
Molecular FormulaC29H39FN6O4
Molecular Weight554.67 g/mol
Exact Mass554.30
IUPAC NameN-[4-[ethyl(propanoyl)amino]cyclohexyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide
SMILESCCC(=O)N(CC)C1CCC(NC(=O)C2CCN(C(=O)c3cc(-c4cc(OC)ncc4F)n[nH]3)C3(CC3)C2)CC1
InChIInChI=1S/C29H39FN6O4/c1-4-26(37)35(5-2)20-8-6-19(7-9-20)32-27(38)18-10-13-36(29(16-18)11-12-29)28(39)24-15-23(33-34-24)21-14-25(40-3)31-17-22(21)30/h14-15,17-20H,4-13,16H2,1-3H3,(H,32,38)(H,33,34)
InChIKeyWGMVXXZQCFVQOH-UHFFFAOYSA-N
XLogP3.69
TPSA120.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.67
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[ethyl(propanoyl)amino]cyclohexyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(propanoyl)amino]cyclohexyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide?
The IUPAC name of N-[4-[ethyl(propanoyl)amino]cyclohexyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide (CID 163295268) is N-[4-[ethyl(propanoyl)amino]cyclohexyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide.
What is the SMILES notation for N-[4-[ethyl(propanoyl)amino]cyclohexyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide?
The canonical SMILES for N-[4-[ethyl(propanoyl)amino]cyclohexyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide is CCC(=O)N(CC)C1CCC(NC(=O)C2CCN(C(=O)c3cc(-c4cc(OC)ncc4F)n[nH]3)C3(CC3)C2)CC1.
What is the InChIKey of N-[4-[ethyl(propanoyl)amino]cyclohexyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide?
The InChIKey is WGMVXXZQCFVQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39FN6O4/c1-4-26(37)35(5-2)20-8-6-19(7-9-20)32-27(38)18-10-13-36(29(16-18)11-12-29)28(39)24-15-23(33-34-24)21-14-25(40-3)31-17-22(21)30/h14-15,17-20H,4-13,16H2,1-3H3,(H,32,38)(H,33,34).
What are the key properties of N-[4-[ethyl(propanoyl)amino]cyclohexyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide?
N-[4-[ethyl(propanoyl)amino]cyclohexyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 554.67 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(propanoyl)amino]cyclohexyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 163295268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).