N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide

C23H19N5O2 — CID 39500397

IUPACN-[3-[(3-cyanophenyl)methoxy]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)cc12
InChIInChI=1S/C23H19N5O2/c1-15-21-10-18(13-25-22(21)28(2)27-15)23(29)26-19-7-4-8-20(11-19)30-14-17-6-3-5-16(9-17)12-24/h3-11,13H,14H2,1-2H3,(H,26,29)
InChIKeyXMFYZXTZVZYCFS-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.98
Rot. Bonds5

About N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide

N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 39500397) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-cyanophenyl)methoxy]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID39500397
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC NameN-[3-[(3-cyanophenyl)methoxy]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)cc12
InChIInChI=1S/C23H19N5O2/c1-15-21-10-18(13-25-22(21)28(2)27-15)23(29)26-19-7-4-8-20(11-19)30-14-17-6-3-5-16(9-17)12-24/h3-11,13H,14H2,1-2H3,(H,26,29)
InChIKeyXMFYZXTZVZYCFS-UHFFFAOYSA-N
XLogP3.98
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]pyridine-3-carboxamide
CID 39001172
3-cyano-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 31520219
N-[3-[(3-cyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide
CID 39501157
N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 39997561
1,3-dimethyl-N-[(3-propan-2-yloxyphenyl)carbamoyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 10109543
1,3-dimethyl-N-[3-(piperidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 34452654
3-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-methylindole-2-carboxamide
CID 55962072
N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,4-dimethylbenzamide
CID 39501116
N-[3-[(3-cyanophenyl)methoxy]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 39500262
N-(3-chloro-4-cyanophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839832
N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,2,5-thiadiazole-3-carboxamide
CID 87010307
N-(4-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31316920

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide (CID 39500397) is N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(C)c2ncc(C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)cc12.
What is the InChIKey of N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is XMFYZXTZVZYCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-15-21-10-18(13-25-22(21)28(2)27-15)23(29)26-19-7-4-8-20(11-19)30-14-17-6-3-5-16(9-17)12-24/h3-11,13H,14H2,1-2H3,(H,26,29).
What are the key properties of N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 39500397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).