(6-chloroimidazo[1,2-a]pyridin-2-yl)-(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)methanone

C19H23ClN4O — CID 131690978

IUPAC(6-chloroimidazo[1,2-a]pyridin-2-yl)-(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)methanone
SMILESC=CCN1CCCC12CCCN(C(=O)c1cn3cc(Cl)ccc3n1)C2
InChIInChI=1S/C19H23ClN4O/c1-2-9-24-11-4-8-19(24)7-3-10-22(14-19)18(25)16-13-23-12-15(20)5-6-17(23)21-16/h2,5-6,12-13H,1,3-4,7-11,14H2
InChIKeyRYHDKTOUQNKVJT-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.24
Rot. Bonds3

About (6-chloroimidazo[1,2-a]pyridin-2-yl)-(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)methanone

(6-chloroimidazo[1,2-a]pyridin-2-yl)-(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)methanone (PubChem CID 131690978) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is (6-chloroimidazo[1,2-a]pyridin-2-yl)-(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name(6-chloroimidazo[1,2-a]pyridin-2-yl)-(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)methanone
PubChem CID131690978
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name(6-chloroimidazo[1,2-a]pyridin-2-yl)-(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)methanone
SMILESC=CCN1CCCC12CCCN(C(=O)c1cn3cc(Cl)ccc3n1)C2
InChIInChI=1S/C19H23ClN4O/c1-2-9-24-11-4-8-19(24)7-3-10-22(14-19)18(25)16-13-23-12-15(20)5-6-17(23)21-16/h2,5-6,12-13H,1,3-4,7-11,14H2
InChIKeyRYHDKTOUQNKVJT-UHFFFAOYSA-N
XLogP3.24
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 56900534
(6-chloroimidazo[1,2-a]pyridin-2-yl)-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 95713723
(5-methylpyrazin-2-yl)-(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)methanone
CID 134074791
[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-(1H-pyrrol-2-yl)methanone
CID 97481759
ethyl 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate
CID 42536529
(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)-(4-propylphenyl)methanone
CID 131648719
8-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one;formic acid
CID 155870802
(3aR,7aR)-5-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 155871938
(6-chloroimidazo[1,2-a]pyridin-2-yl)-(2-phenylmorpholin-4-yl)methanone
CID 42649604
1-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-2-thiophen-3-ylethanone
CID 97393443
3-oxo-3-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]propanenitrile
CID 97393465
ethyl (3R)-3-[(3-chlorophenyl)methyl]-1-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxylate
CID 25278619

Frequently Asked Questions

What is the IUPAC name of (6-chloroimidazo[1,2-a]pyridin-2-yl)-(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of (6-chloroimidazo[1,2-a]pyridin-2-yl)-(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)methanone (CID 131690978) is (6-chloroimidazo[1,2-a]pyridin-2-yl)-(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for (6-chloroimidazo[1,2-a]pyridin-2-yl)-(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for (6-chloroimidazo[1,2-a]pyridin-2-yl)-(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)methanone is C=CCN1CCCC12CCCN(C(=O)c1cn3cc(Cl)ccc3n1)C2.
What is the InChIKey of (6-chloroimidazo[1,2-a]pyridin-2-yl)-(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)methanone?
The InChIKey is RYHDKTOUQNKVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-2-9-24-11-4-8-19(24)7-3-10-22(14-19)18(25)16-13-23-12-15(20)5-6-17(23)21-16/h2,5-6,12-13H,1,3-4,7-11,14H2.
What are the key properties of (6-chloroimidazo[1,2-a]pyridin-2-yl)-(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)methanone?
(6-chloroimidazo[1,2-a]pyridin-2-yl)-(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)methanone has a molecular weight of 358.87 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroimidazo[1,2-a]pyridin-2-yl)-(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 131690978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).