(6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone

C16H20ClN5O — CID 95724911

IUPAC(6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
SMILESO=C(c1cn2cc(Cl)cnc2n1)N1CCC[C@H](N2CCCC2)C1
InChIInChI=1S/C16H20ClN5O/c17-12-8-18-16-19-14(11-22(16)9-12)15(23)21-7-3-4-13(10-21)20-5-1-2-6-20/h8-9,11,13H,1-7,10H2/t13-/m0/s1
InChIKeyBUJYRIQXCSIWFS-ZDUSSCGKSA-N
MW333.82 g/mol
LogP2.08
Rot. Bonds2

About (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone

(6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone (PubChem CID 95724911) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
PubChem CID95724911
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC Name(6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
SMILESO=C(c1cn2cc(Cl)cnc2n1)N1CCC[C@H](N2CCCC2)C1
InChIInChI=1S/C16H20ClN5O/c17-12-8-18-16-19-14(11-22(16)9-12)15(23)21-7-3-4-13(10-21)20-5-1-2-6-20/h8-9,11,13H,1-7,10H2/t13-/m0/s1
InChIKeyBUJYRIQXCSIWFS-ZDUSSCGKSA-N
XLogP2.08
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-pyrrolidin-1-ylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63049254
(6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[(4S)-4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]methanone
CID 95726120
(3,6-dichloro-2-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 61051195
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(2,5-dichloro-4-pyridinyl)methanone
CID 114918468
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(4-chloro-3-pyridinyl)methanone
CID 81226844
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(1,3-thiazol-4-yl)methanone
CID 63048030
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(2,5-dichloro-4-pyridinyl)methanone
CID 114917996
(4-amino-1H-pyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 63102325
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[5-(ethylamino)pyrazin-2-yl]methanone
CID 107375576
(4-methyl-2-propan-2-ylpyrimidin-5-yl)-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
CID 95728129
(6-chloroimidazo[1,2-a]pyrimidin-2-yl)-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 70727929
[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[1-(4-chlorophenyl)pyrazol-4-yl]methanone
CID 129403659

Frequently Asked Questions

What is the IUPAC name of (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone?
The IUPAC name of (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone (CID 95724911) is (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone.
What is the SMILES notation for (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone?
The canonical SMILES for (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone is O=C(c1cn2cc(Cl)cnc2n1)N1CCC[C@H](N2CCCC2)C1.
What is the InChIKey of (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone?
The InChIKey is BUJYRIQXCSIWFS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20ClN5O/c17-12-8-18-16-19-14(11-22(16)9-12)15(23)21-7-3-4-13(10-21)20-5-1-2-6-20/h8-9,11,13H,1-7,10H2/t13-/m0/s1.
What are the key properties of (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone?
(6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone has a molecular weight of 333.82 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 95724911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).