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

C25H29F4N5O4 — CID 167064837

IUPAC4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[3-hydroxy-4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide
SMILESCOc1cc(-c2cc(C(=O)N3CCC(C(=O)NC4CCC(C(F)(F)F)C(O)C4)CC34CC4)[nH]n2)c(F)cn1
InChIInChI=1S/C25H29F4N5O4/c1-38-21-9-15(17(26)12-30-21)18-10-19(33-32-18)23(37)34-7-4-13(11-24(34)5-6-24)22(36)31-14-2-3-16(20(35)8-14)25(27,28)29/h9-10,12-14,16,20,35H,2-8,11H2,1H3,(H,31,36)(H,32,33)
InChIKeyDEJKWPCFTCNUJG-UHFFFAOYSA-N
MW539.53 g/mol
LogP3.21
Rot. Bonds5

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

4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[3-hydroxy-4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide (PubChem CID 167064837) has the molecular formula C25H29F4N5O4 and a molecular weight of 539.53 g/mol. Its IUPAC name is 4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[3-hydroxy-4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide.

Molecular Properties

Compound Name4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[3-hydroxy-4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide
PubChem CID167064837
Molecular FormulaC25H29F4N5O4
Molecular Weight539.53 g/mol
Exact Mass539.22
IUPAC Name4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[3-hydroxy-4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide
SMILESCOc1cc(-c2cc(C(=O)N3CCC(C(=O)NC4CCC(C(F)(F)F)C(O)C4)CC34CC4)[nH]n2)c(F)cn1
InChIInChI=1S/C25H29F4N5O4/c1-38-21-9-15(17(26)12-30-21)18-10-19(33-32-18)23(37)34-7-4-13(11-24(34)5-6-24)22(36)31-14-2-3-16(20(35)8-14)25(27,28)29/h9-10,12-14,16,20,35H,2-8,11H2,1H3,(H,31,36)(H,32,33)
InChIKeyDEJKWPCFTCNUJG-UHFFFAOYSA-N
XLogP3.21
TPSA120.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.53
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[3-hydroxy-4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide?
The IUPAC name of 4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[3-hydroxy-4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide (CID 167064837) is 4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[3-hydroxy-4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide.
What is the SMILES notation for 4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[3-hydroxy-4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide?
The canonical SMILES for 4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[3-hydroxy-4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide is COc1cc(-c2cc(C(=O)N3CCC(C(=O)NC4CCC(C(F)(F)F)C(O)C4)CC34CC4)[nH]n2)c(F)cn1.
What is the InChIKey of 4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[3-hydroxy-4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide?
The InChIKey is DEJKWPCFTCNUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F4N5O4/c1-38-21-9-15(17(26)12-30-21)18-10-19(33-32-18)23(37)34-7-4-13(11-24(34)5-6-24)22(36)31-14-2-3-16(20(35)8-14)25(27,28)29/h9-10,12-14,16,20,35H,2-8,11H2,1H3,(H,31,36)(H,32,33).
What are the key properties of 4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[3-hydroxy-4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide?
4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[3-hydroxy-4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 539.53 g/mol, XLogP of 3.21, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[3-hydroxy-4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 167064837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).