(2R)-2-pyridin-3-yl-1-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

C20H25N5O2 — CID 97284567

IUPAC(2R)-2-pyridin-3-yl-1-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
SMILESO=C(c1ccc[nH]1)N1CCN(C(=O)[C@@H](c2cccnc2)N2CCCC2)CC1
InChIInChI=1S/C20H25N5O2/c26-19(17-6-4-8-22-17)24-11-13-25(14-12-24)20(27)18(23-9-1-2-10-23)16-5-3-7-21-15-16/h3-8,15,18,22H,1-2,9-14H2/t18-/m1/s1
InChIKeyXVAYJHJALLLSHY-GOSISDBHSA-N
MW367.45 g/mol
LogP1.53
Rot. Bonds4

About (2R)-2-pyridin-3-yl-1-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

(2R)-2-pyridin-3-yl-1-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone (PubChem CID 97284567) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (2R)-2-pyridin-3-yl-1-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name(2R)-2-pyridin-3-yl-1-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
PubChem CID97284567
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name(2R)-2-pyridin-3-yl-1-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
SMILESO=C(c1ccc[nH]1)N1CCN(C(=O)[C@@H](c2cccnc2)N2CCCC2)CC1
InChIInChI=1S/C20H25N5O2/c26-19(17-6-4-8-22-17)24-11-13-25(14-12-24)20(27)18(23-9-1-2-10-23)16-5-3-7-21-15-16/h3-8,15,18,22H,1-2,9-14H2/t18-/m1/s1
InChIKeyXVAYJHJALLLSHY-GOSISDBHSA-N
XLogP1.53
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-pyridin-3-yl-1-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyridin-3-yl-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808493
(2S)-2-morpholin-4-yl-1-(1,4-oxazepan-4-yl)-2-pyridin-3-ylethanone
CID 97203647
(2R)-2-morpholin-4-yl-1-(1,4-oxazepan-4-yl)-2-pyridin-3-ylethanone
CID 97203648
(2S)-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanone
CID 97277932
(2S)-2-(azepan-1-yl)-1-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 97218708
1-piperidin-1-yl-1-pyridin-3-ylpropan-2-one
CID 116860071
5-[[1-(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)piperidin-4-yl]methyl]-1H-pyridin-2-one
CID 138381061
3-methyl-8-[(2R)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 97279939
1-(2-methylphenyl)-4-(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)piperazin-2-one
CID 70761405
2-morpholin-4-yl-2-pyridin-3-yl-1-thiomorpholin-4-ylethanone
CID 74230397
1-[3-(4-methylphenoxy)azetidin-1-yl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanone
CID 118767818
1-[4-(dimethylamino)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanone
CID 56890671

Frequently Asked Questions

What is the IUPAC name of (2R)-2-pyridin-3-yl-1-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone?
The IUPAC name of (2R)-2-pyridin-3-yl-1-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone (CID 97284567) is (2R)-2-pyridin-3-yl-1-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for (2R)-2-pyridin-3-yl-1-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone?
The canonical SMILES for (2R)-2-pyridin-3-yl-1-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone is O=C(c1ccc[nH]1)N1CCN(C(=O)[C@@H](c2cccnc2)N2CCCC2)CC1.
What is the InChIKey of (2R)-2-pyridin-3-yl-1-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone?
The InChIKey is XVAYJHJALLLSHY-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25N5O2/c26-19(17-6-4-8-22-17)24-11-13-25(14-12-24)20(27)18(23-9-1-2-10-23)16-5-3-7-21-15-16/h3-8,15,18,22H,1-2,9-14H2/t18-/m1/s1.
What are the key properties of (2R)-2-pyridin-3-yl-1-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone?
(2R)-2-pyridin-3-yl-1-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone has a molecular weight of 367.45 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-pyridin-3-yl-1-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 97284567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).