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

C28H31F2N7O3 — CID 167375417

IUPAC4-[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
SMILESCOc1cc(-c2cc(C(=O)N3CCC(C(=O)N[C@@H]4CN(c5ccc(C)nc5)C[C@@H]4F)CC34CC4)[nH]n2)c(F)cn1
InChIInChI=1S/C28H31F2N7O3/c1-16-3-4-18(12-31-16)36-14-21(30)24(15-36)33-26(38)17-5-8-37(28(11-17)6-7-28)27(39)23-10-22(34-35-23)19-9-25(40-2)32-13-20(19)29/h3-4,9-10,12-13,17,21,24H,5-8,11,14-15H2,1-2H3,(H,33,38)(H,34,35)/t17?,21-,24+/m0/s1
InChIKeyJDXZAZNYKDOOQI-BHJNUDTASA-N
MW551.60 g/mol
LogP3.05
Rot. Bonds6

About 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

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 (PubChem CID 167375417) has the molecular formula C28H31F2N7O3 and a molecular weight of 551.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID167375417
Molecular FormulaC28H31F2N7O3
Molecular Weight551.60 g/mol
Exact Mass551.25
IUPAC Name4-[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
SMILESCOc1cc(-c2cc(C(=O)N3CCC(C(=O)N[C@@H]4CN(c5ccc(C)nc5)C[C@@H]4F)CC34CC4)[nH]n2)c(F)cn1
InChIInChI=1S/C28H31F2N7O3/c1-16-3-4-18(12-31-16)36-14-21(30)24(15-36)33-26(38)17-5-8-37(28(11-17)6-7-28)27(39)23-10-22(34-35-23)19-9-25(40-2)32-13-20(19)29/h3-4,9-10,12-13,17,21,24H,5-8,11,14-15H2,1-2H3,(H,33,38)(H,34,35)/t17?,21-,24+/m0/s1
InChIKeyJDXZAZNYKDOOQI-BHJNUDTASA-N
XLogP3.05
TPSA116.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.60
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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]-4-azaspiro[2.5]octane-7-carboxylic acid
CID 163295658
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
(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
(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
(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
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-(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]-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-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-4-azaspiro[2.5]octane-7-carboxamide
CID 163295904
N-[(1S,3S,4R)-3,4-dihydroxy-4-(trifluoromethyl)cyclohexyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide
CID 167375462
N-[(1R,3R,4S)-3,4-dihydroxy-4-(trifluoromethyl)cyclohexyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide
CID 167375000

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(-c2cc(C(=O)N3CCC(C(=O)N[C@@H]4CN(c5ccc(C)nc5)C[C@@H]4F)CC34CC4)[nH]n2)c(F)cn1.
What is the InChIKey of 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?
The InChIKey is JDXZAZNYKDOOQI-BHJNUDTASA-N. The full InChI is InChI=1S/C28H31F2N7O3/c1-16-3-4-18(12-31-16)36-14-21(30)24(15-36)33-26(38)17-5-8-37(28(11-17)6-7-28)27(39)23-10-22(34-35-23)19-9-25(40-2)32-13-20(19)29/h3-4,9-10,12-13,17,21,24H,5-8,11,14-15H2,1-2H3,(H,33,38)(H,34,35)/t17?,21-,24+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 551.60 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 7 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-[(3R,4S)-4-fluoro-1-(6-methyl-3-pyridinyl)pyrrolidin-3-yl]-4-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 167375417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).