N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide

C23H29N5O3 — CID 42955667

IUPACN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cc3c(C)nn(C)c3nc2C)N2CCOCC2)cc1
InChIInChI=1S/C23H29N5O3/c1-15-20(13-19-16(2)26-27(3)22(19)25-15)23(29)24-14-21(28-9-11-31-12-10-28)17-5-7-18(30-4)8-6-17/h5-8,13,21H,9-12,14H2,1-4H3,(H,24,29)
InChIKeyLQXJAWGDQVKNNX-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.40
Rot. Bonds6

About N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide

N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 42955667) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID42955667
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC NameN-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cc3c(C)nn(C)c3nc2C)N2CCOCC2)cc1
InChIInChI=1S/C23H29N5O3/c1-15-20(13-19-16(2)26-27(3)22(19)25-15)23(29)24-14-21(28-9-11-31-12-10-28)17-5-7-18(30-4)8-6-17/h5-8,13,21H,9-12,14H2,1-4H3,(H,24,29)
InChIKeyLQXJAWGDQVKNNX-UHFFFAOYSA-N
XLogP2.40
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide with MolForge

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Related Compounds

N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide
CID 2998590
2-hydroxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 51186231
4-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460518
4-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011129
ethyl N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamate
CID 112502614
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 43043352
6-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 154859385
2-(2-cyanophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17438662
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55754690
3-methoxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 18161673
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1H-indole-3-carboxamide
CID 31909519
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 42955667) is N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide is COc1ccc(C(CNC(=O)c2cc3c(C)nn(C)c3nc2C)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is LQXJAWGDQVKNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-15-20(13-19-16(2)26-27(3)22(19)25-15)23(29)24-14-21(28-9-11-31-12-10-28)17-5-7-18(30-4)8-6-17/h5-8,13,21H,9-12,14H2,1-4H3,(H,24,29).
What are the key properties of N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 42955667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).