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

C22H25ClN4O2 — CID 7626947

IUPAC[4-chloro-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-[(2R)-2-ethylpiperidin-1-yl]methanone
SMILESCC[C@@H]1CCCCN1C(=O)c1cnc2c(c(C)nn2-c2ccc(OC)cc2)c1Cl
InChIInChI=1S/C22H25ClN4O2/c1-4-15-7-5-6-12-26(15)22(28)18-13-24-21-19(20(18)23)14(2)25-27(21)16-8-10-17(29-3)11-9-16/h8-11,13,15H,4-7,12H2,1-3H3/t15-/m1/s1
InChIKeySMXRNCJYIISKIR-OAHLLOKOSA-N
MW412.92 g/mol
LogP4.80
Rot. Bonds4

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

[4-chloro-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-[(2R)-2-ethylpiperidin-1-yl]methanone (PubChem CID 7626947) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is [4-chloro-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-[(2R)-2-ethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-chloro-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-[(2R)-2-ethylpiperidin-1-yl]methanone
PubChem CID7626947
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC Name[4-chloro-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-[(2R)-2-ethylpiperidin-1-yl]methanone
SMILESCC[C@@H]1CCCCN1C(=O)c1cnc2c(c(C)nn2-c2ccc(OC)cc2)c1Cl
InChIInChI=1S/C22H25ClN4O2/c1-4-15-7-5-6-12-26(15)22(28)18-13-24-21-19(20(18)23)14(2)25-27(21)16-8-10-17(29-3)11-9-16/h8-11,13,15H,4-7,12H2,1-3H3/t15-/m1/s1
InChIKeySMXRNCJYIISKIR-OAHLLOKOSA-N
XLogP4.80
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-chloro-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-[(2R)-2-ethylpiperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 7626813
N-butyl-4-chloro-1-(4-methoxyphenyl)-N,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626907
4-chloro-1-(4-methoxyphenyl)-3-methyl-N-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626969
4-chloro-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 122442807
1-(2-ethylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 78762202
2-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109088184
N-[5-(2-ethylpiperidin-1-yl)-2-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113030692
2-(2-ethylpiperidine-1-carbonyl)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109086886
[(2S)-2-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 92626793
(2-ethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazin-3-yl]methanone
CID 6625626
(4-benzylpiperazin-1-yl)-[4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]methanone
CID 44891810
(2-chloro-5-hydroxyphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 106501379

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-[(2R)-2-ethylpiperidin-1-yl]methanone?
The IUPAC name of [4-chloro-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-[(2R)-2-ethylpiperidin-1-yl]methanone (CID 7626947) is [4-chloro-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-[(2R)-2-ethylpiperidin-1-yl]methanone.
What is the SMILES notation for [4-chloro-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-[(2R)-2-ethylpiperidin-1-yl]methanone?
The canonical SMILES for [4-chloro-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-[(2R)-2-ethylpiperidin-1-yl]methanone is CC[C@@H]1CCCCN1C(=O)c1cnc2c(c(C)nn2-c2ccc(OC)cc2)c1Cl.
What is the InChIKey of [4-chloro-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-[(2R)-2-ethylpiperidin-1-yl]methanone?
The InChIKey is SMXRNCJYIISKIR-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H25ClN4O2/c1-4-15-7-5-6-12-26(15)22(28)18-13-24-21-19(20(18)23)14(2)25-27(21)16-8-10-17(29-3)11-9-16/h8-11,13,15H,4-7,12H2,1-3H3/t15-/m1/s1.
What are the key properties of [4-chloro-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-[(2R)-2-ethylpiperidin-1-yl]methanone?
[4-chloro-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-[(2R)-2-ethylpiperidin-1-yl]methanone has a molecular weight of 412.92 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-[(2R)-2-ethylpiperidin-1-yl]methanone is sourced from PubChem (CID 7626947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).