2-[(1S)-1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide

C26H30FN7O4 — CID 167375310

IUPAC2-[(1S)-1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide
SMILESCOc1cc(-c2cc(C(=O)N3CCC(C(N)=O)CC34CC4[C@H](C)c3cn4c(n3)COCC4)[nH]n2)c(F)cn1
InChIInChI=1S/C26H30FN7O4/c1-14(21-12-33-5-6-38-13-22(33)30-21)17-10-26(17)9-15(24(28)35)3-4-34(26)25(36)20-8-19(31-32-20)16-7-23(37-2)29-11-18(16)27/h7-8,11-12,14-15,17H,3-6,9-10,13H2,1-2H3,(H2,28,35)(H,31,32)/t14-,15?,17?,26?/m0/s1
InChIKeyBTGBMSGUZSSSIK-QZYRDOKQSA-N
MW523.57 g/mol
LogP2.25
Rot. Bonds6

About 2-[(1S)-1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide

2-[(1S)-1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide (PubChem CID 167375310) has the molecular formula C26H30FN7O4 and a molecular weight of 523.57 g/mol. Its IUPAC name is 2-[(1S)-1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide.

Molecular Properties

Compound Name2-[(1S)-1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide
PubChem CID167375310
Molecular FormulaC26H30FN7O4
Molecular Weight523.57 g/mol
Exact Mass523.23
IUPAC Name2-[(1S)-1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide
SMILESCOc1cc(-c2cc(C(=O)N3CCC(C(N)=O)CC34CC4[C@H](C)c3cn4c(n3)COCC4)[nH]n2)c(F)cn1
InChIInChI=1S/C26H30FN7O4/c1-14(21-12-33-5-6-38-13-22(33)30-21)17-10-26(17)9-15(24(28)35)3-4-34(26)25(36)20-8-19(31-32-20)16-7-23(37-2)29-11-18(16)27/h7-8,11-12,14-15,17H,3-6,9-10,13H2,1-2H3,(H2,28,35)(H,31,32)/t14-,15?,17?,26?/m0/s1
InChIKeyBTGBMSGUZSSSIK-QZYRDOKQSA-N
XLogP2.25
TPSA141.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.57
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[(1S)-1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)ethyl]-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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Related Compounds

2-[(1R)-1-(3-chloro-2-pyridinyl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide
CID 167375053
4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid
CID 163295658
4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-methyl-4-azaspiro[2.5]octane-7-carboxamide
CID 167064924
2-[[5-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-2-yl]methyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide
CID 175727130
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
N-[(1S)-1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide
CID 175577939
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
(7S)-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 163295687
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
(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carbaldehyde
CID 167064554
(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(1R)-1-(4-hydroxy-1-bicyclo[2.2.2]octanyl)ethyl]-4-azaspiro[2.5]octane-7-carboxamide
CID 163296019
2-[(3-chloro-5-methoxy-2-pyridinyl)methyl]-4-[3-(5-fluoro-2-methyl-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide
CID 175726882

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide?
The IUPAC name of 2-[(1S)-1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide (CID 167375310) is 2-[(1S)-1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)ethyl]-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 2-[(1S)-1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide?
The canonical SMILES for 2-[(1S)-1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide is COc1cc(-c2cc(C(=O)N3CCC(C(N)=O)CC34CC4[C@H](C)c3cn4c(n3)COCC4)[nH]n2)c(F)cn1.
What is the InChIKey of 2-[(1S)-1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide?
The InChIKey is BTGBMSGUZSSSIK-QZYRDOKQSA-N. The full InChI is InChI=1S/C26H30FN7O4/c1-14(21-12-33-5-6-38-13-22(33)30-21)17-10-26(17)9-15(24(28)35)3-4-34(26)25(36)20-8-19(31-32-20)16-7-23(37-2)29-11-18(16)27/h7-8,11-12,14-15,17H,3-6,9-10,13H2,1-2H3,(H2,28,35)(H,31,32)/t14-,15?,17?,26?/m0/s1.
What are the key properties of 2-[(1S)-1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide?
2-[(1S)-1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 523.57 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)ethyl]-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-4-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 167375310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).