[2-(4-fluorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)methanone

C18H17FN4O — CID 130423454

IUPAC[2-(4-fluorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)methanone
SMILESCc1[nH]nc2ccc(C(=O)N3CCCC3c3ccc(F)cc3)nc12
InChIInChI=1S/C18H17FN4O/c1-11-17-14(22-21-11)8-9-15(20-17)18(24)23-10-2-3-16(23)12-4-6-13(19)7-5-12/h4-9,16H,2-3,10H2,1H3,(H,21,22)
InChIKeyHSVXCKKYKUBIOX-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.38
Rot. Bonds2

About [2-(4-fluorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)methanone

[2-(4-fluorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)methanone (PubChem CID 130423454) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is [2-(4-fluorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)methanone
PubChem CID130423454
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name[2-(4-fluorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)methanone
SMILESCc1[nH]nc2ccc(C(=O)N3CCCC3c3ccc(F)cc3)nc12
InChIInChI=1S/C18H17FN4O/c1-11-17-14(22-21-11)8-9-15(20-17)18(24)23-10-2-3-16(23)12-4-6-13(19)7-5-12/h4-9,16H,2-3,10H2,1H3,(H,21,22)
InChIKeyHSVXCKKYKUBIOX-UHFFFAOYSA-N
XLogP3.38
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 53001446
(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 70704985
[2-(4-methylphenyl)piperidin-1-yl]-(2H-triazolo[4,5-b]pyridin-5-yl)methanone
CID 75456438
[6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridinyl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 43070750
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)methanone
CID 118879403
[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone
CID 130423718
[(2S)-2-(4-bromophenyl)pyrrolidin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone
CID 118879407
[(2R)-2-(4-bromophenyl)pyrrolidin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone
CID 130423731
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 46266463
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 50747022
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone
CID 42929431
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methylimidazo[5,1-b][1,3,4]thiadiazol-2-yl)methanone
CID 72705885

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)methanone?
The IUPAC name of [2-(4-fluorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)methanone (CID 130423454) is [2-(4-fluorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)methanone.
What is the SMILES notation for [2-(4-fluorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)methanone?
The canonical SMILES for [2-(4-fluorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)methanone is Cc1[nH]nc2ccc(C(=O)N3CCCC3c3ccc(F)cc3)nc12.
What is the InChIKey of [2-(4-fluorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)methanone?
The InChIKey is HSVXCKKYKUBIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-11-17-14(22-21-11)8-9-15(20-17)18(24)23-10-2-3-16(23)12-4-6-13(19)7-5-12/h4-9,16H,2-3,10H2,1H3,(H,21,22).
What are the key properties of [2-(4-fluorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)methanone?
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)methanone has a molecular weight of 324.36 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)methanone is sourced from PubChem (CID 130423454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).