[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone

C19H25N5O — CID 124996183

IUPAC[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
SMILESO=C(c1ccnc(N2CCCC2)c1)N1CCC[C@@H](Cc2ccn[nH]2)C1
InChIInChI=1S/C19H25N5O/c25-19(16-5-7-20-18(13-16)23-9-1-2-10-23)24-11-3-4-15(14-24)12-17-6-8-21-22-17/h5-8,13,15H,1-4,9-12,14H2,(H,21,22)/t15-/m0/s1
InChIKeyQRHOBYAGCQORAI-HNNXBMFYSA-N
MW339.44 g/mol
LogP2.50
Rot. Bonds4

About [(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone

[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone (PubChem CID 124996183) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is [(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone.

Molecular Properties

Compound Name[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
PubChem CID124996183
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
SMILESO=C(c1ccnc(N2CCCC2)c1)N1CCC[C@@H](Cc2ccn[nH]2)C1
InChIInChI=1S/C19H25N5O/c25-19(16-5-7-20-18(13-16)23-9-1-2-10-23)24-11-3-4-15(14-24)12-17-6-8-21-22-17/h5-8,13,15H,1-4,9-12,14H2,(H,21,22)/t15-/m0/s1
InChIKeyQRHOBYAGCQORAI-HNNXBMFYSA-N
XLogP2.50
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone with MolForge

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Related Compounds

2H-benzotriazol-5-yl-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 124940852
(4-fluorophenyl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 110106358
3H-benzimidazol-5-yl-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 110106421
[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 125009158
(3-aminopiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 119381223
(2,3-dimethyl-1H-indol-5-yl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 110106506
2-cyclopropyl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 125024753
(2-methylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 125001802
1H-pyrazol-5-yl-[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methanone
CID 124948806
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 125025980
(3-methylpiperidin-1-yl)-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methanone
CID 109175718
[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109173670

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone?
The IUPAC name of [(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone (CID 124996183) is [(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone.
What is the SMILES notation for [(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone?
The canonical SMILES for [(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone is O=C(c1ccnc(N2CCCC2)c1)N1CCC[C@@H](Cc2ccn[nH]2)C1.
What is the InChIKey of [(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone?
The InChIKey is QRHOBYAGCQORAI-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N5O/c25-19(16-5-7-20-18(13-16)23-9-1-2-10-23)24-11-3-4-15(14-24)12-17-6-8-21-22-17/h5-8,13,15H,1-4,9-12,14H2,(H,21,22)/t15-/m0/s1.
What are the key properties of [(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone?
[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone has a molecular weight of 339.44 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone is sourced from PubChem (CID 124996183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).