(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-4-azaspiro[2.5]octane-7-carboxamide

C24H24F4N6O3S — CID 163295125

IUPAC(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-4-azaspiro[2.5]octane-7-carboxamide
SMILESCOc1cc(-c2cc(C(=O)N3CC[C@H](C(=O)NCc4sc(C)nc4C(F)(F)F)CC34CC4)[nH]n2)c(F)cn1
InChIInChI=1S/C24H24F4N6O3S/c1-12-31-20(24(26,27)28)18(38-12)11-30-21(35)13-3-6-34(23(9-13)4-5-23)22(36)17-8-16(32-33-17)14-7-19(37-2)29-10-15(14)25/h7-8,10,13H,3-6,9,11H2,1-2H3,(H,30,35)(H,32,33)/t13-/m0/s1
InChIKeyVCDJFZULPLHEGP-ZDUSSCGKSA-N
MW552.55 g/mol
LogP4.10
Rot. Bonds6

About (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-4-azaspiro[2.5]octane-7-carboxamide

(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-4-azaspiro[2.5]octane-7-carboxamide (PubChem CID 163295125) has the molecular formula C24H24F4N6O3S and a molecular weight of 552.55 g/mol. Its IUPAC name is (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-4-azaspiro[2.5]octane-7-carboxamide.

Molecular Properties

Compound Name(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-4-azaspiro[2.5]octane-7-carboxamide
PubChem CID163295125
Molecular FormulaC24H24F4N6O3S
Molecular Weight552.55 g/mol
Exact Mass552.16
IUPAC Name(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-4-azaspiro[2.5]octane-7-carboxamide
SMILESCOc1cc(-c2cc(C(=O)N3CC[C@H](C(=O)NCc4sc(C)nc4C(F)(F)F)CC34CC4)[nH]n2)c(F)cn1
InChIInChI=1S/C24H24F4N6O3S/c1-12-31-20(24(26,27)28)18(38-12)11-30-21(35)13-3-6-34(23(9-13)4-5-23)22(36)17-8-16(32-33-17)14-7-19(37-2)29-10-15(14)25/h7-8,10,13H,3-6,9,11H2,1-2H3,(H,30,35)(H,32,33)/t13-/m0/s1
InChIKeyVCDJFZULPLHEGP-ZDUSSCGKSA-N
XLogP4.10
TPSA113.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.55
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-4-azaspiro[2.5]octane-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US9776991, Example 139
CID 118136944
3-(2-(4-fluorophenyl)-4-methylthiazol-5-yl)-N-(2-methoxybenzyl)-1H-pyrazole-5-carboxamide
CID 45498892
(3-(thiophen-2-yl)-1H-pyrazol-5-yl)(4-((5-(trifluoromethyl)pyridin-2-yl)oxy)piperidin-1-yl)methanone
CID 71798705
5-[[4-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]methyl]-N-[(2-methoxypyridin-4-yl)methyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 160425359
[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]-(2-methylpiperidin-1-yl)methanone;N-[4-(trifluoromethyl)cyclohexyl]formamide
CID 163294643
4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carbaldehyde
CID 163294652
N-(4,4-difluorocyclohexyl)-1-[3-(2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]piperidine-4-carboxamide
CID 163294654
(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-4-azaspiro[2.5]octane-7-carboxamide
CID 163294656
(7R)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(6R)-1-methyl-6-(trifluoromethyl)piperidin-3-yl]-4-azaspiro[2.5]octane-7-carboxamide
CID 163294662
4-azaspiro[2.5]octan-4-yl-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]methanone;N-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]formamide
CID 163294665
4-azaspiro[2.5]octan-4-yl-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazol-5-yl]methanone
CID 163294667
(1S,5R)-N-[4-amino-4-(trifluoromethyl)cyclohexyl]-8-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-8-azabicyclo[3.2.1]octane-3-carboxamide
CID 163294669

Frequently Asked Questions

What is the IUPAC name of (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-4-azaspiro[2.5]octane-7-carboxamide?
The IUPAC name of (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-4-azaspiro[2.5]octane-7-carboxamide (CID 163295125) is (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-4-azaspiro[2.5]octane-7-carboxamide.
What is the SMILES notation for (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-4-azaspiro[2.5]octane-7-carboxamide?
The canonical SMILES for (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-4-azaspiro[2.5]octane-7-carboxamide is COc1cc(-c2cc(C(=O)N3CC[C@H](C(=O)NCc4sc(C)nc4C(F)(F)F)CC34CC4)[nH]n2)c(F)cn1.
What is the InChIKey of (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-4-azaspiro[2.5]octane-7-carboxamide?
The InChIKey is VCDJFZULPLHEGP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C24H24F4N6O3S/c1-12-31-20(24(26,27)28)18(38-12)11-30-21(35)13-3-6-34(23(9-13)4-5-23)22(36)17-8-16(32-33-17)14-7-19(37-2)29-10-15(14)25/h7-8,10,13H,3-6,9,11H2,1-2H3,(H,30,35)(H,32,33)/t13-/m0/s1.
What are the key properties of (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-4-azaspiro[2.5]octane-7-carboxamide?
(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-4-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 552.55 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-4-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 163295125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).