(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone

C19H20FN5O — CID 120737148

IUPAC(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCNCC2c2cccc(F)c2)c2c(C)[nH]nc2n1
InChIInChI=1S/C19H20FN5O/c1-11-8-15(17-12(2)23-24-18(17)22-11)19(26)25-7-6-21-10-16(25)13-4-3-5-14(20)9-13/h3-5,8-9,16,21H,6-7,10H2,1-2H3,(H,22,23,24)
InChIKeyNZTDSKIVOWJHNO-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.50
Rot. Bonds2

About (3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone

(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 120737148) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is (3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
PubChem CID120737148
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCNCC2c2cccc(F)c2)c2c(C)[nH]nc2n1
InChIInChI=1S/C19H20FN5O/c1-11-8-15(17-12(2)23-24-18(17)22-11)19(26)25-7-6-21-10-16(25)13-4-3-5-14(20)9-13/h3-5,8-9,16,21H,6-7,10H2,1-2H3,(H,22,23,24)
InChIKeyNZTDSKIVOWJHNO-UHFFFAOYSA-N
XLogP2.50
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-(3-fluorophenyl)piperazin-1-yl]-[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone
CID 136508063
[2-(3-fluorophenyl)piperazin-1-yl]-[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone
CID 136507911
[2-(3-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 120736320
[2-(3-fluorophenyl)piperazin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 120736163
[2-(3-fluorophenyl)piperazin-1-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methanone
CID 120737836
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
(2,5-dimethylpyrazol-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120736000
(1,5-dimethyltriazol-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120737933
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[2-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 136507950
(1-tert-butyl-5-methylpyrazol-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120735677
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 120737064

Frequently Asked Questions

What is the IUPAC name of (3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone (CID 120737148) is (3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCNCC2c2cccc(F)c2)c2c(C)[nH]nc2n1.
What is the InChIKey of (3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is NZTDSKIVOWJHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-11-8-15(17-12(2)23-24-18(17)22-11)19(26)25-7-6-21-10-16(25)13-4-3-5-14(20)9-13/h3-5,8-9,16,21H,6-7,10H2,1-2H3,(H,22,23,24).
What are the key properties of (3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 353.40 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 120737148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).