[4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-[(2R)-2-methylpiperidin-1-yl]methanone

C20H20ClFN4O — CID 7626813

IUPAC[4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESCc1nn(-c2ccc(F)cc2)c2ncc(C(=O)N3CCCC[C@H]3C)c(Cl)c12
InChIInChI=1S/C20H20ClFN4O/c1-12-5-3-4-10-25(12)20(27)16-11-23-19-17(18(16)21)13(2)24-26(19)15-8-6-14(22)7-9-15/h6-9,11-12H,3-5,10H2,1-2H3/t12-/m1/s1
InChIKeyAMTZNSRZGSOIQF-GFCCVEGCSA-N
MW386.86 g/mol
LogP4.54
Rot. Bonds2

About [4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-[(2R)-2-methylpiperidin-1-yl]methanone

[4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-[(2R)-2-methylpiperidin-1-yl]methanone (PubChem CID 7626813) has the molecular formula C20H20ClFN4O and a molecular weight of 386.86 g/mol. Its IUPAC name is [4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-[(2R)-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
PubChem CID7626813
Molecular FormulaC20H20ClFN4O
Molecular Weight386.86 g/mol
Exact Mass386.13
IUPAC Name[4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESCc1nn(-c2ccc(F)cc2)c2ncc(C(=O)N3CCCC[C@H]3C)c(Cl)c12
InChIInChI=1S/C20H20ClFN4O/c1-12-5-3-4-10-25(12)20(27)16-11-23-19-17(18(16)21)13(2)24-26(19)15-8-6-14(22)7-9-15/h6-9,11-12H,3-5,10H2,1-2H3/t12-/m1/s1
InChIKeyAMTZNSRZGSOIQF-GFCCVEGCSA-N
XLogP4.54
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
CID 7626819
[4-chloro-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 7626947
(4-benzylpiperazin-1-yl)-[4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]methanone
CID 44891810
4-chloro-1-(4-fluorophenyl)-3-methyl-N-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626855
4-chloro-N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626788
4-chloro-N-[(4-fluorophenyl)methyl]-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7627313
4-chloro-1-(4-fluorophenyl)-3-methyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626873
4-chloro-N-cycloheptyl-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626984
4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626851
4-chloro-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 122442807
[3-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 46086668
4-chloro-N-(2,4-difluorophenyl)-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7627271

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The IUPAC name of [4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-[(2R)-2-methylpiperidin-1-yl]methanone (CID 7626813) is [4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-[(2R)-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for [4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-[(2R)-2-methylpiperidin-1-yl]methanone is Cc1nn(-c2ccc(F)cc2)c2ncc(C(=O)N3CCCC[C@H]3C)c(Cl)c12.
What is the InChIKey of [4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The InChIKey is AMTZNSRZGSOIQF-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H20ClFN4O/c1-12-5-3-4-10-25(12)20(27)16-11-23-19-17(18(16)21)13(2)24-26(19)15-8-6-14(22)7-9-15/h6-9,11-12H,3-5,10H2,1-2H3/t12-/m1/s1.
What are the key properties of [4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
[4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-[(2R)-2-methylpiperidin-1-yl]methanone has a molecular weight of 386.86 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-[(2R)-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 7626813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).