[3-(1-benzylimidazol-4-yl)indolizin-1-yl]-[4-(dimethylamino)piperidin-1-yl]methanone

C26H29N5O — CID 97446913

IUPAC[3-(1-benzylimidazol-4-yl)indolizin-1-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2cc(-c3cn(Cc4ccccc4)cn3)n3ccccc23)CC1
InChIInChI=1S/C26H29N5O/c1-28(2)21-11-14-30(15-12-21)26(32)22-16-25(31-13-7-6-10-24(22)31)23-18-29(19-27-23)17-20-8-4-3-5-9-20/h3-10,13,16,18-19,21H,11-12,14-15,17H2,1-2H3
InChIKeyCLTGBHLGDJPKRD-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.02
Rot. Bonds5

About [3-(1-benzylimidazol-4-yl)indolizin-1-yl]-[4-(dimethylamino)piperidin-1-yl]methanone

[3-(1-benzylimidazol-4-yl)indolizin-1-yl]-[4-(dimethylamino)piperidin-1-yl]methanone (PubChem CID 97446913) has the molecular formula C26H29N5O and a molecular weight of 427.55 g/mol. Its IUPAC name is [3-(1-benzylimidazol-4-yl)indolizin-1-yl]-[4-(dimethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(1-benzylimidazol-4-yl)indolizin-1-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
PubChem CID97446913
Molecular FormulaC26H29N5O
Molecular Weight427.55 g/mol
Exact Mass427.24
IUPAC Name[3-(1-benzylimidazol-4-yl)indolizin-1-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2cc(-c3cn(Cc4ccccc4)cn3)n3ccccc23)CC1
InChIInChI=1S/C26H29N5O/c1-28(2)21-11-14-30(15-12-21)26(32)22-16-25(31-13-7-6-10-24(22)31)23-18-29(19-27-23)17-20-8-4-3-5-9-20/h3-10,13,16,18-19,21H,11-12,14-15,17H2,1-2H3
InChIKeyCLTGBHLGDJPKRD-UHFFFAOYSA-N
XLogP4.02
TPSA45.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(dimethylamino)piperidin-1-yl]-[3-[1-(4-methoxyphenyl)pyrazol-3-yl]indolizin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 155855131
[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-(2-methyl-1-pyridin-2-ylimidazol-4-yl)indolizin-1-yl]methanone
CID 97446982
[3-(dimethylamino)pyrrolidin-1-yl]-[3-[1-(4-methoxyphenyl)pyrazol-3-yl]indolizin-1-yl]methanone
CID 131650381
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[3-[1-(4-methoxyphenyl)pyrazol-3-yl]indolizin-1-yl]methanone
CID 97446810
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[3-(2-propan-2-yl-1,3-thiazol-4-yl)indolizin-1-yl]methanone
CID 97446851
[3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]indolizin-1-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 97446891
[3-[1-(cyclopropylmethyl)pyrazol-3-yl]indolizin-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 97446734
[3-(2-phenyl-1,3-thiazol-4-yl)indolizin-1-yl]-pyrrolidin-1-ylmethanone
CID 97446884
[3-(1-benzylimidazol-4-yl)imidazo[1,5-a]pyridin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 97447020
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 166194053
[3-(2-benzyl-1,3-thiazol-4-yl)indolizin-1-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 97446879
(5-benzyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 95141808

Frequently Asked Questions

What is the IUPAC name of [3-(1-benzylimidazol-4-yl)indolizin-1-yl]-[4-(dimethylamino)piperidin-1-yl]methanone?
The IUPAC name of [3-(1-benzylimidazol-4-yl)indolizin-1-yl]-[4-(dimethylamino)piperidin-1-yl]methanone (CID 97446913) is [3-(1-benzylimidazol-4-yl)indolizin-1-yl]-[4-(dimethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(1-benzylimidazol-4-yl)indolizin-1-yl]-[4-(dimethylamino)piperidin-1-yl]methanone?
The canonical SMILES for [3-(1-benzylimidazol-4-yl)indolizin-1-yl]-[4-(dimethylamino)piperidin-1-yl]methanone is CN(C)C1CCN(C(=O)c2cc(-c3cn(Cc4ccccc4)cn3)n3ccccc23)CC1.
What is the InChIKey of [3-(1-benzylimidazol-4-yl)indolizin-1-yl]-[4-(dimethylamino)piperidin-1-yl]methanone?
The InChIKey is CLTGBHLGDJPKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O/c1-28(2)21-11-14-30(15-12-21)26(32)22-16-25(31-13-7-6-10-24(22)31)23-18-29(19-27-23)17-20-8-4-3-5-9-20/h3-10,13,16,18-19,21H,11-12,14-15,17H2,1-2H3.
What are the key properties of [3-(1-benzylimidazol-4-yl)indolizin-1-yl]-[4-(dimethylamino)piperidin-1-yl]methanone?
[3-(1-benzylimidazol-4-yl)indolizin-1-yl]-[4-(dimethylamino)piperidin-1-yl]methanone has a molecular weight of 427.55 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-benzylimidazol-4-yl)indolizin-1-yl]-[4-(dimethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 97446913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).