N-[[6-[2-(3,5-difluorophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

C24H26F2N4O2 — CID 90012423

IUPACN-[[6-[2-(3,5-difluorophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)Cc1cc(F)cc(F)c1)CC2)N1C=C2C=CNC=C2C1
InChIInChI=1S/C24H26F2N4O2/c25-20-7-16(8-21(26)10-20)9-22(31)29-5-2-24(3-6-29)11-19(24)13-28-23(32)30-14-17-1-4-27-12-18(17)15-30/h1,4,7-8,10,12,14,19,27H,2-3,5-6,9,11,13,15H2,(H,28,32)
InChIKeyGZTSLTNXVOTDLT-UHFFFAOYSA-N
MW440.49 g/mol
LogP3.05
Rot. Bonds4

About N-[[6-[2-(3,5-difluorophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

N-[[6-[2-(3,5-difluorophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (PubChem CID 90012423) has the molecular formula C24H26F2N4O2 and a molecular weight of 440.49 g/mol. Its IUPAC name is N-[[6-[2-(3,5-difluorophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-[2-(3,5-difluorophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
PubChem CID90012423
Molecular FormulaC24H26F2N4O2
Molecular Weight440.49 g/mol
Exact Mass440.20
IUPAC NameN-[[6-[2-(3,5-difluorophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESO=C(NCC1CC12CCN(C(=O)Cc1cc(F)cc(F)c1)CC2)N1C=C2C=CNC=C2C1
InChIInChI=1S/C24H26F2N4O2/c25-20-7-16(8-21(26)10-20)9-22(31)29-5-2-24(3-6-29)11-19(24)13-28-23(32)30-14-17-1-4-27-12-18(17)15-30/h1,4,7-8,10,12,14,19,27H,2-3,5-6,9,11,13,15H2,(H,28,32)
InChIKeyGZTSLTNXVOTDLT-UHFFFAOYSA-N
XLogP3.05
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[6-[2-(3,5-difluorophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 90012785
N-[[6-[5-methyl-4-(1,2-oxazol-5-yl)-1H-pyrazole-3-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 136623163
N-[[6-(2-pyridin-3-ylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 118621272
N-[[6-[2-(4-cyanophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 118621391
5-fluoro-N-(spiro[2.2]pentan-2-ylmethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 126790764
N-[[6-[2-(5-fluoro-2-pyridinyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]cyclobutanecarboxamide
CID 131682104
N-[[6-[2-(1,3-thiazol-2-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 118621395
2-(3,5-difluorophenyl)-1-[(3S)-3-methylpiperazin-1-yl]ethanone;hydrochloride
CID 176516377
N-[[6-(2-phenylacetyl)-6-azaspiro[2.5]octan-2-yl]methyl]-5H-cyclopenta[c]pyridine-6-carboxamide
CID 159879013
N-[[6-(2,2-dimethylcyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 118621385
N-[[6-[2-(4-cyanophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 90012764
tert-butyl (2S)-2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 121499158

Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-(3,5-difluorophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[[6-[2-(3,5-difluorophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (CID 90012423) is N-[[6-[2-(3,5-difluorophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[6-[2-(3,5-difluorophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[6-[2-(3,5-difluorophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is O=C(NCC1CC12CCN(C(=O)Cc1cc(F)cc(F)c1)CC2)N1C=C2C=CNC=C2C1.
What is the InChIKey of N-[[6-[2-(3,5-difluorophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The InChIKey is GZTSLTNXVOTDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O2/c25-20-7-16(8-21(26)10-20)9-22(31)29-5-2-24(3-6-29)11-19(24)13-28-23(32)30-14-17-1-4-27-12-18(17)15-30/h1,4,7-8,10,12,14,19,27H,2-3,5-6,9,11,13,15H2,(H,28,32).
What are the key properties of N-[[6-[2-(3,5-difluorophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
N-[[6-[2-(3,5-difluorophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide has a molecular weight of 440.49 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[2-(3,5-difluorophenyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-3,5-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 90012423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).