[6-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone

C21H27N5O2 — CID 92621580

IUPAC[6-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCCn1nccc1C(=O)N1CCC[C@H](c2ccc(C(=O)N3CCCC3)cn2)C1
InChIInChI=1S/C21H27N5O2/c1-2-26-19(9-10-23-26)21(28)25-13-5-6-17(15-25)18-8-7-16(14-22-18)20(27)24-11-3-4-12-24/h7-10,14,17H,2-6,11-13,15H2,1H3/t17-/m0/s1
InChIKeyUVCCWXKZPGABNM-KRWDZBQOSA-N
MW381.48 g/mol
LogP2.55
Rot. Bonds4

About [6-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone

[6-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 92621580) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is [6-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID92621580
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name[6-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCCn1nccc1C(=O)N1CCC[C@H](c2ccc(C(=O)N3CCCC3)cn2)C1
InChIInChI=1S/C21H27N5O2/c1-2-26-19(9-10-23-26)21(28)25-13-5-6-17(15-25)18-8-7-16(14-22-18)20(27)24-11-3-4-12-24/h7-10,14,17H,2-6,11-13,15H2,1H3/t17-/m0/s1
InChIKeyUVCCWXKZPGABNM-KRWDZBQOSA-N
XLogP2.55
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

4-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97193909
1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110090089
2-methyl-2-(4-methylphenyl)-1-[(3R)-3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 92621989
(2-ethylpyrazol-3-yl)-[3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 53185291
[(2R)-4-(2-ethylpyrazole-3-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone
CID 92632860
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 110264319
(1-methylpyrazol-4-yl)-[(3R)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 95824581
azepan-1-yl-(2-propylpyrazol-3-yl)methanone
CID 35522312
1-[3-[5-(2-ethylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110101484
acetic acid;[6-(1-methylpiperidin-3-yl)-3-pyridinyl]-morpholin-4-ylmethanone
CID 171687261
(2-ethylpyrazol-3-yl)-[(3R)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97134062
[(3R)-3-(diethylamino)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
CID 99961743

Frequently Asked Questions

What is the IUPAC name of [6-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 92621580) is [6-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone is CCn1nccc1C(=O)N1CCC[C@H](c2ccc(C(=O)N3CCCC3)cn2)C1.
What is the InChIKey of [6-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is UVCCWXKZPGABNM-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-2-26-19(9-10-23-26)21(28)25-13-5-6-17(15-25)18-8-7-16(14-22-18)20(27)24-11-3-4-12-24/h7-10,14,17H,2-6,11-13,15H2,1H3/t17-/m0/s1.
What are the key properties of [6-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[6-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 381.48 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 92621580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).