1-[4-[2-methyl-6-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone

C21H28N6O2 — CID 92619920

IUPAC1-[4-[2-methyl-6-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(C)nc([C@@H]3CCCN3C(=O)c3cnn(C)c3)c2)CC1
InChIInChI=1S/C21H28N6O2/c1-15-11-18(26-9-7-25(8-10-26)16(2)28)12-19(23-15)20-5-4-6-27(20)21(29)17-13-22-24(3)14-17/h11-14,20H,4-10H2,1-3H3/t20-/m0/s1
InChIKeyQMPOQHAJBVXUPA-FQEVSTJZSA-N
MW396.50 g/mol
LogP1.77
Rot. Bonds3

About 1-[4-[2-methyl-6-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone

1-[4-[2-methyl-6-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 92619920) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 1-[4-[2-methyl-6-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-methyl-6-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone
PubChem CID92619920
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC Name1-[4-[2-methyl-6-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(C)nc([C@@H]3CCCN3C(=O)c3cnn(C)c3)c2)CC1
InChIInChI=1S/C21H28N6O2/c1-15-11-18(26-9-7-25(8-10-26)16(2)28)12-19(23-15)20-5-4-6-27(20)21(29)17-13-22-24(3)14-17/h11-14,20H,4-10H2,1-3H3/t20-/m0/s1
InChIKeyQMPOQHAJBVXUPA-FQEVSTJZSA-N
XLogP1.77
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[2-methyl-6-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone 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

1-[4-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone
CID 110260425
1-[2-[4-(4-acetylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 110092922
1-[(2R)-2-[4-(4-benzoylpiperazin-1-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 92619845
1-[4-[2-methyl-6-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone
CID 92619790
1-[4-[2-[(2S)-1-acetylpyrrolidin-2-yl]-6-methyl-4-pyridinyl]piperazin-1-yl]-2-methylpropan-1-one
CID 92619873
N-[2-[4-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]piperazin-1-yl]-2-oxoethyl]acetamide
CID 110260474
1-[(2R)-2-[6-methyl-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 92619883
2-[4-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methyl-4-pyridinyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 92619680
3-[2-methyl-6-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]propanamide
CID 127244916
[2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110258834
[(2R)-2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95845828
[2-[6-methyl-4-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 110260421

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-methyl-6-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-methyl-6-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone (CID 92619920) is 1-[4-[2-methyl-6-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-methyl-6-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-methyl-6-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(C)nc([C@@H]3CCCN3C(=O)c3cnn(C)c3)c2)CC1.
What is the InChIKey of 1-[4-[2-methyl-6-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is QMPOQHAJBVXUPA-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-15-11-18(26-9-7-25(8-10-26)16(2)28)12-19(23-15)20-5-4-6-27(20)21(29)17-13-22-24(3)14-17/h11-14,20H,4-10H2,1-3H3/t20-/m0/s1.
What are the key properties of 1-[4-[2-methyl-6-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone?
1-[4-[2-methyl-6-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 396.50 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-methyl-6-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 92619920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).