(6-pyrazol-1-yl-3-pyridinyl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone

C20H21N5O — CID 124994294

IUPAC(6-pyrazol-1-yl-3-pyridinyl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(-n2cccn2)nc1)N1CCC[C@H]1CCc1ccncc1
InChIInChI=1S/C20H21N5O/c26-20(17-5-7-19(22-15-17)25-14-2-10-23-25)24-13-1-3-18(24)6-4-16-8-11-21-12-9-16/h2,5,7-12,14-15,18H,1,3-4,6,13H2/t18-/m0/s1
InChIKeyQDTQZYATIYFQRN-SFHVURJKSA-N
MW347.42 g/mol
LogP2.90
Rot. Bonds5

About (6-pyrazol-1-yl-3-pyridinyl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone

(6-pyrazol-1-yl-3-pyridinyl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone (PubChem CID 124994294) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is (6-pyrazol-1-yl-3-pyridinyl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-pyrazol-1-yl-3-pyridinyl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
PubChem CID124994294
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name(6-pyrazol-1-yl-3-pyridinyl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(-n2cccn2)nc1)N1CCC[C@H]1CCc1ccncc1
InChIInChI=1S/C20H21N5O/c26-20(17-5-7-19(22-15-17)25-14-2-10-23-25)24-13-1-3-18(24)6-4-16-8-11-21-12-9-16/h2,5,7-12,14-15,18H,1,3-4,6,13H2/t18-/m0/s1
InChIKeyQDTQZYATIYFQRN-SFHVURJKSA-N
XLogP2.90
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6-pyrazol-1-yl-3-pyridinyl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(1-methylpyrazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 125014760
[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 124962989
(6-pyrazol-1-yl-3-pyridinyl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 125000089
(3-methylpiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 53014451
(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 124994004
[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124969741
[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 110103587
[2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110103609
[(3S)-3-pyrazin-2-ylpiperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 125013420
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 55532223
3-phenoxy-1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one
CID 124959275
3-[(2R)-1-(4-pyrazol-1-ylbenzoyl)piperidin-2-yl]propanoic acid
CID 124701383

Frequently Asked Questions

What is the IUPAC name of (6-pyrazol-1-yl-3-pyridinyl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (6-pyrazol-1-yl-3-pyridinyl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone (CID 124994294) is (6-pyrazol-1-yl-3-pyridinyl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-pyrazol-1-yl-3-pyridinyl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (6-pyrazol-1-yl-3-pyridinyl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone is O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@H]1CCc1ccncc1.
What is the InChIKey of (6-pyrazol-1-yl-3-pyridinyl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone?
The InChIKey is QDTQZYATIYFQRN-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21N5O/c26-20(17-5-7-19(22-15-17)25-14-2-10-23-25)24-13-1-3-18(24)6-4-16-8-11-21-12-9-16/h2,5,7-12,14-15,18H,1,3-4,6,13H2/t18-/m0/s1.
What are the key properties of (6-pyrazol-1-yl-3-pyridinyl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone?
(6-pyrazol-1-yl-3-pyridinyl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone has a molecular weight of 347.42 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-pyrazol-1-yl-3-pyridinyl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124994294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).