N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C28H25N5O3 — CID 43069786

IUPACN-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)cc1OCc1cccnc1
InChIInChI=1S/C28H25N5O3/c1-18-26-22(15-23(20-9-5-4-6-10-20)31-27(26)33(2)32-18)28(34)30-21-11-12-24(35-3)25(14-21)36-17-19-8-7-13-29-16-19/h4-16H,17H2,1-3H3,(H,30,34)
InChIKeySYYJUDJKZRNCHX-UHFFFAOYSA-N
MW479.54 g/mol
LogP5.18
Rot. Bonds7

About N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 43069786) has the molecular formula C28H25N5O3 and a molecular weight of 479.54 g/mol. Its IUPAC name is N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID43069786
Molecular FormulaC28H25N5O3
Molecular Weight479.54 g/mol
Exact Mass479.20
IUPAC NameN-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)cc1OCc1cccnc1
InChIInChI=1S/C28H25N5O3/c1-18-26-22(15-23(20-9-5-4-6-10-20)31-27(26)33(2)32-18)28(34)30-21-11-12-24(35-3)25(14-21)36-17-19-8-7-13-29-16-19/h4-16H,17H2,1-3H3,(H,30,34)
InChIKeySYYJUDJKZRNCHX-UHFFFAOYSA-N
XLogP5.18
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.54
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-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

N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 43069822
N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 36524540
1,3-dimethyl-6-phenyl-N-(5-phenylpyrimidin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 146090748
N-(3,4-dimethoxyphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621214
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 46427978
methyl 1,3-dimethyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 25247922
N-(3-chlorophenyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166199194
1,3-dimethyl-N-[4-(4-methylpyrimidin-2-yl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166207441
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 43069812
1,3-dimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16606126
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 43069775
ethyl 6-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55672143

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 43069786) is N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)cc1OCc1cccnc1.
What is the InChIKey of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is SYYJUDJKZRNCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O3/c1-18-26-22(15-23(20-9-5-4-6-10-20)31-27(26)33(2)32-18)28(34)30-21-11-12-24(35-3)25(14-21)36-17-19-8-7-13-29-16-19/h4-16H,17H2,1-3H3,(H,30,34).
What are the key properties of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 479.54 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 43069786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).