(5S)-7-(cyclobutylmethyl)-2-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C22H28N4O2 — CID 95726197

IUPAC(5S)-7-(cyclobutylmethyl)-2-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cccn2cc(C(=O)N3CC[C@@]4(CCCN(CC5CCC5)C4=O)C3)nc12
InChIInChI=1S/C22H28N4O2/c1-16-5-3-10-24-14-18(23-19(16)24)20(27)26-12-9-22(15-26)8-4-11-25(21(22)28)13-17-6-2-7-17/h3,5,10,14,17H,2,4,6-9,11-13,15H2,1H3/t22-/m0/s1
InChIKeyYSJWUBANBAGLQN-QFIPXVFZSA-N
MW380.49 g/mol
LogP2.90
Rot. Bonds3

About (5S)-7-(cyclobutylmethyl)-2-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-(cyclobutylmethyl)-2-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 95726197) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is (5S)-7-(cyclobutylmethyl)-2-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-(cyclobutylmethyl)-2-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID95726197
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name(5S)-7-(cyclobutylmethyl)-2-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cccn2cc(C(=O)N3CC[C@@]4(CCCN(CC5CCC5)C4=O)C3)nc12
InChIInChI=1S/C22H28N4O2/c1-16-5-3-10-24-14-18(23-19(16)24)20(27)26-12-9-22(15-26)8-4-11-25(21(22)28)13-17-6-2-7-17/h3,5,10,14,17H,2,4,6-9,11-13,15H2,1H3/t22-/m0/s1
InChIKeyYSJWUBANBAGLQN-QFIPXVFZSA-N
XLogP2.90
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-(cyclobutylmethyl)-2-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-(cyclobutylmethyl)-2-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 95726197) is (5S)-7-(cyclobutylmethyl)-2-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-(cyclobutylmethyl)-2-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-(cyclobutylmethyl)-2-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is Cc1cccn2cc(C(=O)N3CC[C@@]4(CCCN(CC5CCC5)C4=O)C3)nc12.
What is the InChIKey of (5S)-7-(cyclobutylmethyl)-2-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is YSJWUBANBAGLQN-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-16-5-3-10-24-14-18(23-19(16)24)20(27)26-12-9-22(15-26)8-4-11-25(21(22)28)13-17-6-2-7-17/h3,5,10,14,17H,2,4,6-9,11-13,15H2,1H3/t22-/m0/s1.
What are the key properties of (5S)-7-(cyclobutylmethyl)-2-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-(cyclobutylmethyl)-2-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 380.49 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(cyclobutylmethyl)-2-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 95726197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).