N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C23H29N5O2 — CID 55952631

IUPACN-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCOc1ccccc1CN1CCC(NC(=O)c2cc(C)nc3c2c(C)nn3C)CC1
InChIInChI=1S/C23H29N5O2/c1-15-13-19(21-16(2)26-27(3)22(21)24-15)23(29)25-18-9-11-28(12-10-18)14-17-7-5-6-8-20(17)30-4/h5-8,13,18H,9-12,14H2,1-4H3,(H,25,29)
InChIKeyUALVYTKNGILUPE-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.99
Rot. Bonds5

About N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 55952631) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID55952631
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC NameN-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCOc1ccccc1CN1CCC(NC(=O)c2cc(C)nc3c2c(C)nn3C)CC1
InChIInChI=1S/C23H29N5O2/c1-15-13-19(21-16(2)26-27(3)22(21)24-15)23(29)25-18-9-11-28(12-10-18)14-17-7-5-6-8-20(17)30-4/h5-8,13,18H,9-12,14H2,1-4H3,(H,25,29)
InChIKeyUALVYTKNGILUPE-UHFFFAOYSA-N
XLogP2.99
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide 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

6-(furan-2-yl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55979218
6-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 31700057
tert-butyl 4-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]piperidine-1-carboxylate
CID 52731159
1-(4-methoxyphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide
CID 55978323
3,4,5-trimethoxy-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-nitrobenzamide
CID 55951861
cis-(1S,3R)-3-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675632
N-benzyl-N-[1-(2-methoxyphenyl)propan-2-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 47087025
[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 34741949
5-ethyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide
CID 55951357
2-(3,4-dichlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 52719023
N-[4-(cyclopropylcarbamoylamino)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 55531978
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 31757976

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 55952631) is N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is COc1ccccc1CN1CCC(NC(=O)c2cc(C)nc3c2c(C)nn3C)CC1.
What is the InChIKey of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is UALVYTKNGILUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-15-13-19(21-16(2)26-27(3)22(21)24-15)23(29)25-18-9-11-28(12-10-18)14-17-7-5-6-8-20(17)30-4/h5-8,13,18H,9-12,14H2,1-4H3,(H,25,29).
What are the key properties of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55952631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).