3-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]-3,10-diazaspiro[5.6]dodecan-9-one

C21H29N5O2 — CID 176500220

IUPAC3-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]-3,10-diazaspiro[5.6]dodecan-9-one
SMILESCC(C)Cn1cnc2cc(C(=O)N3CCC4(CCNC(=O)CC4)CC3)cnc21
InChIInChI=1S/C21H29N5O2/c1-15(2)13-26-14-24-17-11-16(12-23-19(17)26)20(28)25-9-6-21(7-10-25)4-3-18(27)22-8-5-21/h11-12,14-15H,3-10,13H2,1-2H3,(H,22,27)
InChIKeyCOSHJXFMCAYSEQ-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.61
Rot. Bonds3

About 3-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]-3,10-diazaspiro[5.6]dodecan-9-one

3-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]-3,10-diazaspiro[5.6]dodecan-9-one (PubChem CID 176500220) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 3-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]-3,10-diazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name3-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]-3,10-diazaspiro[5.6]dodecan-9-one
PubChem CID176500220
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name3-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]-3,10-diazaspiro[5.6]dodecan-9-one
SMILESCC(C)Cn1cnc2cc(C(=O)N3CCC4(CCNC(=O)CC4)CC3)cnc21
InChIInChI=1S/C21H29N5O2/c1-15(2)13-26-14-24-17-11-16(12-23-19(17)26)20(28)25-9-6-21(7-10-25)4-3-18(27)22-8-5-21/h11-12,14-15H,3-10,13H2,1-2H3,(H,22,27)
InChIKeyCOSHJXFMCAYSEQ-UHFFFAOYSA-N
XLogP2.61
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]-3,10-diazaspiro[5.6]dodecan-9-one with MolForge

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Related Compounds

[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176503662
3-(2-methoxypyridine-4-carbonyl)-3,10-diazaspiro[5.6]dodecan-9-one
CID 56715208
[(3R)-3-methylmorpholin-4-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176503964
2-methyl-8-[3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 176503516
3-(2-methylpropyl)-N-[(5-oxopyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176507089
3-(2-chloro-4,5-difluorobenzoyl)-3,10-diazaspiro[5.6]dodecan-9-one
CID 91795693
N-methyl-N-(1-methylpiperidin-4-yl)-3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175642076
3-methyl-3,10-diazaspiro[5.6]dodecan-9-one
CID 135257115
[(4S,9aR)-4-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176503776
methyl 2-[4-[[1-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]pyrrolidin-3-yl]methyl]phenyl]acetate
CID 176501074
2-(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 176500676
8-(2H-benzotriazole-5-carbonyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72871236

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]-3,10-diazaspiro[5.6]dodecan-9-one?
The IUPAC name of 3-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]-3,10-diazaspiro[5.6]dodecan-9-one (CID 176500220) is 3-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]-3,10-diazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 3-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]-3,10-diazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 3-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]-3,10-diazaspiro[5.6]dodecan-9-one is CC(C)Cn1cnc2cc(C(=O)N3CCC4(CCNC(=O)CC4)CC3)cnc21.
What is the InChIKey of 3-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]-3,10-diazaspiro[5.6]dodecan-9-one?
The InChIKey is COSHJXFMCAYSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-15(2)13-26-14-24-17-11-16(12-23-19(17)26)20(28)25-9-6-21(7-10-25)4-3-18(27)22-8-5-21/h11-12,14-15H,3-10,13H2,1-2H3,(H,22,27).
What are the key properties of 3-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]-3,10-diazaspiro[5.6]dodecan-9-one?
3-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]-3,10-diazaspiro[5.6]dodecan-9-one has a molecular weight of 383.50 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylpropyl)imidazo[4,5-b]pyridine-6-carbonyl]-3,10-diazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 176500220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).