2-(cyclopropylmethyl)-8-(3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

C21H25FN4O2 — CID 72936923

IUPAC2-(cyclopropylmethyl)-8-(3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(C(=O)c3nc4ccccn4c3F)C2)CN1CC1CC1
InChIInChI=1S/C21H25FN4O2/c22-19-18(23-16-4-1-2-11-26(16)19)20(28)24-10-3-8-21(13-24)9-7-17(27)25(14-21)12-15-5-6-15/h1-2,4,11,15H,3,5-10,12-14H2
InChIKeyABTRGOIPOVAWSK-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.73
Rot. Bonds3

About 2-(cyclopropylmethyl)-8-(3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

2-(cyclopropylmethyl)-8-(3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 72936923) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-8-(3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-8-(3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID72936923
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name2-(cyclopropylmethyl)-8-(3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(C(=O)c3nc4ccccn4c3F)C2)CN1CC1CC1
InChIInChI=1S/C21H25FN4O2/c22-19-18(23-16-4-1-2-11-26(16)19)20(28)24-10-3-8-21(13-24)9-7-17(27)25(14-21)12-15-5-6-15/h1-2,4,11,15H,3,5-10,12-14H2
InChIKeyABTRGOIPOVAWSK-UHFFFAOYSA-N
XLogP2.73
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethyl)-8-[2-(2-hydroxyphenyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70777892
2-(cyclopropylmethyl)-8-(2-hydroxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72916173
(5S)-2-(3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97124354
(6R)-2-(cyclopropylmethyl)-N-[(4-methylphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
CID 97132229
9-benzoyl-2-(cyclobutylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 131680583
2-(cyclopropylmethyl)-8-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72938926
(6R)-2-(cyclopropylmethyl)-8-[2-[4-(dimethylamino)phenyl]acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97156784
(6R)-2-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
CID 97204156
2-(cyclobutylmethyl)-9-(6-methylpyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98897031
2-[2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-4-carboxylic acid
CID 70718159
2-(cyclopropylmethyl)-9-(4-hydroxybenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72878667
2-(cyclopropylmethyl)-9-[2-(dimethylamino)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72894680

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-8-(3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-8-(3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 72936923) is 2-(cyclopropylmethyl)-8-(3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-8-(3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-8-(3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCCN(C(=O)c3nc4ccccn4c3F)C2)CN1CC1CC1.
What is the InChIKey of 2-(cyclopropylmethyl)-8-(3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is ABTRGOIPOVAWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c22-19-18(23-16-4-1-2-11-26(16)19)20(28)24-10-3-8-21(13-24)9-7-17(27)25(14-21)12-15-5-6-15/h1-2,4,11,15H,3,5-10,12-14H2.
What are the key properties of 2-(cyclopropylmethyl)-8-(3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
2-(cyclopropylmethyl)-8-(3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 384.46 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-8-(3-fluoroimidazo[1,2-a]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72936923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).