[3-[1-(cyclopropylmethyl)pyrazol-3-yl]indolizin-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

C25H31N5O — CID 97446734

IUPAC[3-[1-(cyclopropylmethyl)pyrazol-3-yl]indolizin-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1cc(-c2ccn(CC3CC3)n2)n2ccccc12)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C25H31N5O/c31-25(28-14-8-20(9-15-28)27-11-3-4-12-27)21-17-24(30-13-2-1-5-23(21)30)22-10-16-29(26-22)18-19-6-7-19/h1-2,5,10,13,16-17,19-20H,3-4,6-9,11-12,14-15,18H2
InChIKeyQOLAGDULDQMJGS-UHFFFAOYSA-N
MW417.56 g/mol
LogP3.91
Rot. Bonds5

About [3-[1-(cyclopropylmethyl)pyrazol-3-yl]indolizin-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

[3-[1-(cyclopropylmethyl)pyrazol-3-yl]indolizin-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 97446734) has the molecular formula C25H31N5O and a molecular weight of 417.56 g/mol. Its IUPAC name is [3-[1-(cyclopropylmethyl)pyrazol-3-yl]indolizin-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-[1-(cyclopropylmethyl)pyrazol-3-yl]indolizin-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID97446734
Molecular FormulaC25H31N5O
Molecular Weight417.56 g/mol
Exact Mass417.25
IUPAC Name[3-[1-(cyclopropylmethyl)pyrazol-3-yl]indolizin-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1cc(-c2ccn(CC3CC3)n2)n2ccccc12)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C25H31N5O/c31-25(28-14-8-20(9-15-28)27-11-3-4-12-27)21-17-24(30-13-2-1-5-23(21)30)22-10-16-29(26-22)18-19-6-7-19/h1-2,5,10,13,16-17,19-20H,3-4,6-9,11-12,14-15,18H2
InChIKeyQOLAGDULDQMJGS-UHFFFAOYSA-N
XLogP3.91
TPSA45.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[1-(cyclohexylmethyl)imidazol-4-yl]imidazo[1,5-a]pyridin-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 97447146
[3-(1-benzylimidazol-4-yl)indolizin-1-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 97446913
[3-(2-phenyl-1,3-thiazol-4-yl)indolizin-1-yl]-pyrrolidin-1-ylmethanone
CID 97446884
(2-bromophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 60954591
[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
cyclopropyl-[3-(1-propan-2-ylpyrazol-3-yl)indolizin-1-yl]methanone
CID 134690490
N-(cyclopropylmethyl)-3-(1-propan-2-ylpyrazol-3-yl)indolizine-1-carboxamide
CID 97446716
(2-bromophenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90494885
1-[4-[[3-(3-phenylphenyl)pyrazol-1-yl]methyl]piperidin-1-yl]ethanone
CID 168965076
(5-amino-2-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 61140481
(2-ethylsulfonylphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 51124033

Frequently Asked Questions

What is the IUPAC name of [3-[1-(cyclopropylmethyl)pyrazol-3-yl]indolizin-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [3-[1-(cyclopropylmethyl)pyrazol-3-yl]indolizin-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 97446734) is [3-[1-(cyclopropylmethyl)pyrazol-3-yl]indolizin-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-[1-(cyclopropylmethyl)pyrazol-3-yl]indolizin-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [3-[1-(cyclopropylmethyl)pyrazol-3-yl]indolizin-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is O=C(c1cc(-c2ccn(CC3CC3)n2)n2ccccc12)N1CCC(N2CCCC2)CC1.
What is the InChIKey of [3-[1-(cyclopropylmethyl)pyrazol-3-yl]indolizin-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is QOLAGDULDQMJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O/c31-25(28-14-8-20(9-15-28)27-11-3-4-12-27)21-17-24(30-13-2-1-5-23(21)30)22-10-16-29(26-22)18-19-6-7-19/h1-2,5,10,13,16-17,19-20H,3-4,6-9,11-12,14-15,18H2.
What are the key properties of [3-[1-(cyclopropylmethyl)pyrazol-3-yl]indolizin-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
[3-[1-(cyclopropylmethyl)pyrazol-3-yl]indolizin-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 417.56 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(cyclopropylmethyl)pyrazol-3-yl]indolizin-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 97446734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).