(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(8R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-4-azaspiro[2.5]octane-7-carboxamide

C25H29FN8O3 — CID 163295915

IUPAC(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(8R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-4-azaspiro[2.5]octane-7-carboxamide
SMILESCOc1cc(-c2cc(C(=O)N3CC[C@H](C(=O)N[C@@H]4CCCn5c(C)nnc54)CC34CC4)[nH]n2)c(F)cn1
InChIInChI=1S/C25H29FN8O3/c1-14-29-32-22-18(4-3-8-33(14)22)28-23(35)15-5-9-34(25(12-15)6-7-25)24(36)20-11-19(30-31-20)16-10-21(37-2)27-13-17(16)26/h10-11,13,15,18H,3-9,12H2,1-2H3,(H,28,35)(H,30,31)/t15-,18+/m0/s1
InChIKeyAZYYGNUWAMLTJZ-MAUKXSAKSA-N
MW508.56 g/mol
LogP2.56
Rot. Bonds5

About (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(8R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-4-azaspiro[2.5]octane-7-carboxamide

(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(8R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-4-azaspiro[2.5]octane-7-carboxamide (PubChem CID 163295915) has the molecular formula C25H29FN8O3 and a molecular weight of 508.56 g/mol. Its IUPAC name is (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(8R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-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-[(8R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-4-azaspiro[2.5]octane-7-carboxamide
PubChem CID163295915
Molecular FormulaC25H29FN8O3
Molecular Weight508.56 g/mol
Exact Mass508.23
IUPAC Name(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(8R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-4-azaspiro[2.5]octane-7-carboxamide
SMILESCOc1cc(-c2cc(C(=O)N3CC[C@H](C(=O)N[C@@H]4CCCn5c(C)nnc54)CC34CC4)[nH]n2)c(F)cn1
InChIInChI=1S/C25H29FN8O3/c1-14-29-32-22-18(4-3-8-33(14)22)28-23(35)15-5-9-34(25(12-15)6-7-25)24(36)20-11-19(30-31-20)16-10-21(37-2)27-13-17(16)26/h10-11,13,15,18H,3-9,12H2,1-2H3,(H,28,35)(H,30,31)/t15-,18+/m0/s1
InChIKeyAZYYGNUWAMLTJZ-MAUKXSAKSA-N
XLogP2.56
TPSA130.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.56
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(8R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-4-azaspiro[2.5]octane-7-carboxamide with MolForge

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Related Compounds

(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-4-azaspiro[2.5]octane-7-carboxamide
CID 163295904
4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-methyl-4-azaspiro[2.5]octane-7-carboxamide
CID 167064924
4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(1,2,2-trimethylpiperidin-3-yl)-4-azaspiro[2.5]octane-7-carboxamide
CID 175578009
4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid
CID 163295658
(7R)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[4-methoxy-4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide
CID 167064403
N-[(3R,6S)-1,6-dimethylpiperidin-3-yl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide
CID 167374993
(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-(6-methyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-azaspiro[2.5]octane-7-carboxamide
CID 175578033
4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3R,4S)-4-fluoro-1-(6-methyl-3-pyridinyl)pyrrolidin-3-yl]-4-azaspiro[2.5]octane-7-carboxamide
CID 167375417
N-[4-(1,1-difluoro-2-hydroxyethyl)cyclohexyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide
CID 167064865
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
4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[4-(hydroxymethyl)-4-(trifluoromethyl)cyclohexyl]-4-azaspiro[2.5]octane-7-carboxamide
CID 175955494
(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-spiro[7,8-dihydro-6H-quinoline-5,3'-oxetane]-8-yl-4-azaspiro[2.5]octane-7-carboxamide
CID 163295613

Frequently Asked Questions

What is the IUPAC name of (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(8R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-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-[(8R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-4-azaspiro[2.5]octane-7-carboxamide (CID 163295915) is (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(8R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-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-[(8R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-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-[(8R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-4-azaspiro[2.5]octane-7-carboxamide is COc1cc(-c2cc(C(=O)N3CC[C@H](C(=O)N[C@@H]4CCCn5c(C)nnc54)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-[(8R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-4-azaspiro[2.5]octane-7-carboxamide?
The InChIKey is AZYYGNUWAMLTJZ-MAUKXSAKSA-N. The full InChI is InChI=1S/C25H29FN8O3/c1-14-29-32-22-18(4-3-8-33(14)22)28-23(35)15-5-9-34(25(12-15)6-7-25)24(36)20-11-19(30-31-20)16-10-21(37-2)27-13-17(16)26/h10-11,13,15,18H,3-9,12H2,1-2H3,(H,28,35)(H,30,31)/t15-,18+/m0/s1.
What are the key properties of (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(8R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-4-azaspiro[2.5]octane-7-carboxamide?
(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(8R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-4-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 508.56 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 8 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-[(8R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-4-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 163295915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).