(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

C25H28FN7O3 — CID 163295904

IUPAC(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
SMILESCOc1cc(-c2cc(C(=O)N3CC[C@H](C(=O)N[C@@H]4CCCn5ccnc54)CC34CC4)[nH]n2)c(F)cn1
InChIInChI=1S/C25H28FN7O3/c1-36-21-11-16(17(26)14-28-21)19-12-20(31-30-19)24(35)33-9-4-15(13-25(33)5-6-25)23(34)29-18-3-2-8-32-10-7-27-22(18)32/h7,10-12,14-15,18H,2-6,8-9,13H2,1H3,(H,29,34)(H,30,31)/t15-,18+/m0/s1
InChIKeyHEUDBGORIUSJPI-MAUKXSAKSA-N
MW493.54 g/mol
LogP2.85
Rot. Bonds5

About (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

(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 (PubChem CID 163295904) has the molecular formula C25H28FN7O3 and a molecular weight of 493.54 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID163295904
Molecular FormulaC25H28FN7O3
Molecular Weight493.54 g/mol
Exact Mass493.22
IUPAC Name(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
SMILESCOc1cc(-c2cc(C(=O)N3CC[C@H](C(=O)N[C@@H]4CCCn5ccnc54)CC34CC4)[nH]n2)c(F)cn1
InChIInChI=1S/C25H28FN7O3/c1-36-21-11-16(17(26)14-28-21)19-12-20(31-30-19)24(35)33-9-4-15(13-25(33)5-6-25)23(34)29-18-3-2-8-32-10-7-27-22(18)32/h7,10-12,14-15,18H,2-6,8-9,13H2,1H3,(H,29,34)(H,30,31)/t15-,18+/m0/s1
InChIKeyHEUDBGORIUSJPI-MAUKXSAKSA-N
XLogP2.85
TPSA118.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.54
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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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-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-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)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-4-azaspiro[2.5]octane-7-carboxamide (CID 163295904) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1cc(-c2cc(C(=O)N3CC[C@H](C(=O)N[C@@H]4CCCn5ccnc54)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)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-4-azaspiro[2.5]octane-7-carboxamide?
The InChIKey is HEUDBGORIUSJPI-MAUKXSAKSA-N. The full InChI is InChI=1S/C25H28FN7O3/c1-36-21-11-16(17(26)14-28-21)19-12-20(31-30-19)24(35)33-9-4-15(13-25(33)5-6-25)23(34)29-18-3-2-8-32-10-7-27-22(18)32/h7,10-12,14-15,18H,2-6,8-9,13H2,1H3,(H,29,34)(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)-5,6,7,8-tetrahydroimidazo[1,2-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)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-4-azaspiro[2.5]octane-7-carboxamide has a molecular weight of 493.54 g/mol, XLogP of 2.85, 5 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-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-4-azaspiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 163295904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).