[1-(cyclopropylmethyl)-5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-2-methylpyrrol-3-yl]-pyrrolidin-1-ylmethanone

C24H28N4OS — CID 134082627

IUPAC[1-(cyclopropylmethyl)-5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-2-methylpyrrol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCCc1cc(-c2nc(-c3cc(C(=O)N4CCCC4)c(C)n3CC3CC3)cs2)ccn1
InChIInChI=1S/C24H28N4OS/c1-3-19-12-18(8-9-25-19)23-26-21(15-30-23)22-13-20(24(29)27-10-4-5-11-27)16(2)28(22)14-17-6-7-17/h8-9,12-13,15,17H,3-7,10-11,14H2,1-2H3
InChIKeyMQZNETQLGJENFC-UHFFFAOYSA-N
MW420.58 g/mol
LogP5.19
Rot. Bonds6

About [1-(cyclopropylmethyl)-5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-2-methylpyrrol-3-yl]-pyrrolidin-1-ylmethanone

[1-(cyclopropylmethyl)-5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-2-methylpyrrol-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 134082627) has the molecular formula C24H28N4OS and a molecular weight of 420.58 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-2-methylpyrrol-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-2-methylpyrrol-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID134082627
Molecular FormulaC24H28N4OS
Molecular Weight420.58 g/mol
Exact Mass420.20
IUPAC Name[1-(cyclopropylmethyl)-5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-2-methylpyrrol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCCc1cc(-c2nc(-c3cc(C(=O)N4CCCC4)c(C)n3CC3CC3)cs2)ccn1
InChIInChI=1S/C24H28N4OS/c1-3-19-12-18(8-9-25-19)23-26-21(15-30-23)22-13-20(24(29)27-10-4-5-11-27)16(2)28(22)14-17-6-7-17/h8-9,12-13,15,17H,3-7,10-11,14H2,1-2H3
InChIKeyMQZNETQLGJENFC-UHFFFAOYSA-N
XLogP5.19
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.58
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclohexylmethyl)-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 134081994
5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-2-methyl-N-(2-piperidin-1-ylethyl)-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 134082682
butanamide;5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxylic acid
CID 161041506
1-[4-[2-methyl-1-(2-phenylethyl)-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carbonyl]piperazin-1-yl]ethanone
CID 134082469
5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 134082685
ethyl 1-[1-cyclohexyl-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carbonyl]piperidine-4-carboxylate
CID 134082419
1-(cyclopropylmethyl)-5-[2-(4-methoxy-3-nitrophenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide
CID 3862445
butanamide;1-(cyclohexylmethyl)-5-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxylic acid
CID 160768989
5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-[(4-methoxyphenyl)methyl]-2-methyl-N-prop-2-enylpyrrole-3-carboxamide
CID 3611364
5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-N-(3-methoxypropyl)-2-methyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 3746651
N-(2-ethylhexyl)-5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide
CID 3865134
(4-benzylpiperazin-1-yl)-[1-(furan-2-ylmethyl)-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrol-3-yl]methanone
CID 134082385

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)-5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-2-methylpyrrol-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(cyclopropylmethyl)-5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-2-methylpyrrol-3-yl]-pyrrolidin-1-ylmethanone (CID 134082627) is [1-(cyclopropylmethyl)-5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-2-methylpyrrol-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(cyclopropylmethyl)-5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-2-methylpyrrol-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(cyclopropylmethyl)-5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-2-methylpyrrol-3-yl]-pyrrolidin-1-ylmethanone is CCc1cc(-c2nc(-c3cc(C(=O)N4CCCC4)c(C)n3CC3CC3)cs2)ccn1.
What is the InChIKey of [1-(cyclopropylmethyl)-5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-2-methylpyrrol-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is MQZNETQLGJENFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4OS/c1-3-19-12-18(8-9-25-19)23-26-21(15-30-23)22-13-20(24(29)27-10-4-5-11-27)16(2)28(22)14-17-6-7-17/h8-9,12-13,15,17H,3-7,10-11,14H2,1-2H3.
What are the key properties of [1-(cyclopropylmethyl)-5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-2-methylpyrrol-3-yl]-pyrrolidin-1-ylmethanone?
[1-(cyclopropylmethyl)-5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-2-methylpyrrol-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 420.58 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)-5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-2-methylpyrrol-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 134082627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).