(2R)-N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]piperidine-2-carboxamide

C28H30N6O3 — CID 25144791

IUPAC(2R)-N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]piperidine-2-carboxamide
SMILESCOc1ccccc1-c1[nH]nc2ncc(-c3ccc(NC(=O)[C@H]4CCCCN4)c(C(=O)N(C)C)c3)cc12
InChIInChI=1S/C28H30N6O3/c1-34(2)28(36)20-14-17(11-12-22(20)31-27(35)23-9-6-7-13-29-23)18-15-21-25(32-33-26(21)30-16-18)19-8-4-5-10-24(19)37-3/h4-5,8,10-12,14-16,23,29H,6-7,9,13H2,1-3H3,(H,31,35)(H,30,32,33)/t23-/m1/s1
InChIKeyVNOOTESFRMWVPJ-HSZRJFAPSA-N
MW498.59 g/mol
LogP4.08
Rot. Bonds6

About (2R)-N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]piperidine-2-carboxamide

(2R)-N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]piperidine-2-carboxamide (PubChem CID 25144791) has the molecular formula C28H30N6O3 and a molecular weight of 498.59 g/mol. Its IUPAC name is (2R)-N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]piperidine-2-carboxamide
PubChem CID25144791
Molecular FormulaC28H30N6O3
Molecular Weight498.59 g/mol
Exact Mass498.24
IUPAC Name(2R)-N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]piperidine-2-carboxamide
SMILESCOc1ccccc1-c1[nH]nc2ncc(-c3ccc(NC(=O)[C@H]4CCCCN4)c(C(=O)N(C)C)c3)cc12
InChIInChI=1S/C28H30N6O3/c1-34(2)28(36)20-14-17(11-12-22(20)31-27(35)23-9-6-7-13-29-23)18-15-21-25(32-33-26(21)30-16-18)19-8-4-5-10-24(19)37-3/h4-5,8,10-12,14-16,23,29H,6-7,9,13H2,1-3H3,(H,31,35)(H,30,32,33)/t23-/m1/s1
InChIKeyVNOOTESFRMWVPJ-HSZRJFAPSA-N
XLogP4.08
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]piperidine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]piperidine-2-carboxamide (CID 25144791) is (2R)-N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]piperidine-2-carboxamide is COc1ccccc1-c1[nH]nc2ncc(-c3ccc(NC(=O)[C@H]4CCCCN4)c(C(=O)N(C)C)c3)cc12.
What is the InChIKey of (2R)-N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]piperidine-2-carboxamide?
The InChIKey is VNOOTESFRMWVPJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H30N6O3/c1-34(2)28(36)20-14-17(11-12-22(20)31-27(35)23-9-6-7-13-29-23)18-15-21-25(32-33-26(21)30-16-18)19-8-4-5-10-24(19)37-3/h4-5,8,10-12,14-16,23,29H,6-7,9,13H2,1-3H3,(H,31,35)(H,30,32,33)/t23-/m1/s1.
What are the key properties of (2R)-N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]piperidine-2-carboxamide?
(2R)-N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]piperidine-2-carboxamide has a molecular weight of 498.59 g/mol, XLogP of 4.08, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(dimethylcarbamoyl)-4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 25144791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).