(4R,5S)-2-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-(2-fluorophenyl)-2,6-diazaspiro[4.5]decan-7-one

C22H20ClFN4O2 — CID 92573841

IUPAC(4R,5S)-2-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-(2-fluorophenyl)-2,6-diazaspiro[4.5]decan-7-one
SMILESO=C1CCC[C@]2(CN(C(=O)c3cn4cc(Cl)ccc4n3)C[C@H]2c2ccccc2F)N1
InChIInChI=1S/C22H20ClFN4O2/c23-14-7-8-19-25-18(12-27(19)10-14)21(30)28-11-16(15-4-1-2-5-17(15)24)22(13-28)9-3-6-20(29)26-22/h1-2,4-5,7-8,10,12,16H,3,6,9,11,13H2,(H,26,29)/t16-,22+/m0/s1
InChIKeyNOAWDVGCXMPOSG-KSFYIVLOSA-N
MW426.88 g/mol
LogP3.41
Rot. Bonds2

About (4R,5S)-2-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-(2-fluorophenyl)-2,6-diazaspiro[4.5]decan-7-one

(4R,5S)-2-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-(2-fluorophenyl)-2,6-diazaspiro[4.5]decan-7-one (PubChem CID 92573841) has the molecular formula C22H20ClFN4O2 and a molecular weight of 426.88 g/mol. Its IUPAC name is (4R,5S)-2-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-(2-fluorophenyl)-2,6-diazaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name(4R,5S)-2-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-(2-fluorophenyl)-2,6-diazaspiro[4.5]decan-7-one
PubChem CID92573841
Molecular FormulaC22H20ClFN4O2
Molecular Weight426.88 g/mol
Exact Mass426.13
IUPAC Name(4R,5S)-2-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-(2-fluorophenyl)-2,6-diazaspiro[4.5]decan-7-one
SMILESO=C1CCC[C@]2(CN(C(=O)c3cn4cc(Cl)ccc4n3)C[C@H]2c2ccccc2F)N1
InChIInChI=1S/C22H20ClFN4O2/c23-14-7-8-19-25-18(12-27(19)10-14)21(30)28-11-16(15-4-1-2-5-17(15)24)22(13-28)9-3-6-20(29)26-22/h1-2,4-5,7-8,10,12,16H,3,6,9,11,13H2,(H,26,29)/t16-,22+/m0/s1
InChIKeyNOAWDVGCXMPOSG-KSFYIVLOSA-N
XLogP3.41
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.88
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-(2-fluorophenyl)-2,6-diazaspiro[4.5]decan-7-one?
The IUPAC name of (4R,5S)-2-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-(2-fluorophenyl)-2,6-diazaspiro[4.5]decan-7-one (CID 92573841) is (4R,5S)-2-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-(2-fluorophenyl)-2,6-diazaspiro[4.5]decan-7-one.
What is the SMILES notation for (4R,5S)-2-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-(2-fluorophenyl)-2,6-diazaspiro[4.5]decan-7-one?
The canonical SMILES for (4R,5S)-2-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-(2-fluorophenyl)-2,6-diazaspiro[4.5]decan-7-one is O=C1CCC[C@]2(CN(C(=O)c3cn4cc(Cl)ccc4n3)C[C@H]2c2ccccc2F)N1.
What is the InChIKey of (4R,5S)-2-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-(2-fluorophenyl)-2,6-diazaspiro[4.5]decan-7-one?
The InChIKey is NOAWDVGCXMPOSG-KSFYIVLOSA-N. The full InChI is InChI=1S/C22H20ClFN4O2/c23-14-7-8-19-25-18(12-27(19)10-14)21(30)28-11-16(15-4-1-2-5-17(15)24)22(13-28)9-3-6-20(29)26-22/h1-2,4-5,7-8,10,12,16H,3,6,9,11,13H2,(H,26,29)/t16-,22+/m0/s1.
What are the key properties of (4R,5S)-2-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-(2-fluorophenyl)-2,6-diazaspiro[4.5]decan-7-one?
(4R,5S)-2-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-(2-fluorophenyl)-2,6-diazaspiro[4.5]decan-7-one has a molecular weight of 426.88 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-4-(2-fluorophenyl)-2,6-diazaspiro[4.5]decan-7-one is sourced from PubChem (CID 92573841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).