2-ethyl-9-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one

C18H27N5O2 — CID 97134571

IUPAC2-ethyl-9-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCC1=O)CCN(C(=O)[C@H]1NCCc3[nH]cnc31)CC2
InChIInChI=1S/C18H27N5O2/c1-2-22-11-18(5-3-14(22)24)6-9-23(10-7-18)17(25)16-15-13(4-8-19-16)20-12-21-15/h12,16,19H,2-11H2,1H3,(H,20,21)/t16-/m0/s1
InChIKeyLMCWGSAAZSQTFF-INIZCTEOSA-N
MW345.45 g/mol
LogP0.85
Rot. Bonds2

About 2-ethyl-9-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one

2-ethyl-9-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97134571) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-ethyl-9-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-ethyl-9-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97134571
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name2-ethyl-9-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCC1=O)CCN(C(=O)[C@H]1NCCc3[nH]cnc31)CC2
InChIInChI=1S/C18H27N5O2/c1-2-22-11-18(5-3-14(22)24)6-9-23(10-7-18)17(25)16-15-13(4-8-19-16)20-12-21-15/h12,16,19H,2-11H2,1H3,(H,20,21)/t16-/m0/s1
InChIKeyLMCWGSAAZSQTFF-INIZCTEOSA-N
XLogP0.85
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-oxazepan-4-yl-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone
CID 95896875
2-methyl-5-[4-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carbonyl]piperazin-1-yl]pyridazin-3-one
CID 95872297
2-ethyl-9-(5-pyridin-2-ylpyrazolidine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 134079677
(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)-[(4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone
CID 95893846
9-(5,6-dimethylpyrimidine-4-carbonyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
CID 131687106
ethyl (4R)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylate
CID 124518603
2-ethyl-9-(4-methylpyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98897107
2-ethyl-9-(quinoline-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72904189
2-ethyl-9-(1-fluorocyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 131686040
2-ethyl-9-(2-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72848278
(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl]methanone
CID 95896211
9-(2,6-dimethoxybenzoyl)-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72886047

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-9-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-ethyl-9-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 97134571) is 2-ethyl-9-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-ethyl-9-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-ethyl-9-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCC1=O)CCN(C(=O)[C@H]1NCCc3[nH]cnc31)CC2.
What is the InChIKey of 2-ethyl-9-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is LMCWGSAAZSQTFF-INIZCTEOSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-2-22-11-18(5-3-14(22)24)6-9-23(10-7-18)17(25)16-15-13(4-8-19-16)20-12-21-15/h12,16,19H,2-11H2,1H3,(H,20,21)/t16-/m0/s1.
What are the key properties of 2-ethyl-9-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-ethyl-9-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 345.45 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-9-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97134571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).