(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]-4-azaspiro[2.5]octane-7-carboxamide

C25H31FN6O4 — CID 163295966

IUPAC(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]-4-azaspiro[2.5]octane-7-carboxamide
SMILESCOc1cc(-c2cc(C(=O)N3CC[C@H](C(=O)N[C@@H]4CCN(C5COC5)C4)CC34CC4)[nH]n2)c(F)cn1
InChIInChI=1S/C25H31FN6O4/c1-35-22-8-18(19(26)11-27-22)20-9-21(30-29-20)24(34)32-7-2-15(10-25(32)4-5-25)23(33)28-16-3-6-31(12-16)17-13-36-14-17/h8-9,11,15-17H,2-7,10,12-14H2,1H3,(H,28,33)(H,29,30)/t15-,16+/m0/s1
InChIKeyUNNWTMJPMLJJLW-JKSUJKDBSA-N
MW498.56 g/mol
LogP1.59
Rot. Bonds6

About (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]-4-azaspiro[2.5]octane-7-carboxamide

(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]-4-azaspiro[2.5]octane-7-carboxamide (PubChem CID 163295966) has the molecular formula C25H31FN6O4 and a molecular weight of 498.56 g/mol. Its IUPAC name is (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3R)-1-(oxetan-3-yl)pyrrolidin-3-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-[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]-4-azaspiro[2.5]octane-7-carboxamide
PubChem CID163295966
Molecular FormulaC25H31FN6O4
Molecular Weight498.56 g/mol
Exact Mass498.24
IUPAC Name(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]-4-azaspiro[2.5]octane-7-carboxamide
SMILESCOc1cc(-c2cc(C(=O)N3CC[C@H](C(=O)N[C@@H]4CCN(C5COC5)C4)CC34CC4)[nH]n2)c(F)cn1
InChIInChI=1S/C25H31FN6O4/c1-35-22-8-18(19(26)11-27-22)20-9-21(30-29-20)24(34)32-7-2-15(10-25(32)4-5-25)23(33)28-16-3-6-31(12-16)17-13-36-14-17/h8-9,11,15-17H,2-7,10,12-14H2,1H3,(H,28,33)(H,29,30)/t15-,16+/m0/s1
InChIKeyUNNWTMJPMLJJLW-JKSUJKDBSA-N
XLogP1.59
TPSA112.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.56
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3R)-1-(oxetan-3-yl)pyrrolidin-3-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-[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]-4-azaspiro[2.5]octane-7-carboxamide (CID 163295966) is (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3R)-1-(oxetan-3-yl)pyrrolidin-3-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-[(3R)-1-(oxetan-3-yl)pyrrolidin-3-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-[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]-4-azaspiro[2.5]octane-7-carboxamide is COc1cc(-c2cc(C(=O)N3CC[C@H](C(=O)N[C@@H]4CCN(C5COC5)C4)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-[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]-4-azaspiro[2.5]octane-7-carboxamide?
The InChIKey is UNNWTMJPMLJJLW-JKSUJKDBSA-N. The full InChI is InChI=1S/C25H31FN6O4/c1-35-22-8-18(19(26)11-27-22)20-9-21(30-29-20)24(34)32-7-2-15(10-25(32)4-5-25)23(33)28-16-3-6-31(12-16)17-13-36-14-17/h8-9,11,15-17H,2-7,10,12-14H2,1H3,(H,28,33)(H,29,30)/t15-,16+/m0/s1.
What are the key properties of (7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]-4-azaspiro[2.5]octane-7-carboxamide?
(7S)-4-[3-(5-fluoro-2-methoxy-4-pyridinyl)-1H-pyrazole-5-carbonyl]-N-[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]-4-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 498.56 g/mol, XLogP of 1.59, 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-[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]-4-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 163295966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).