N-(3-chloro-4-cyanophenyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H16ClN5O — CID 46687747

IUPACN-(3-chloro-4-cyanophenyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc(C#N)c(Cl)c3)c12
InChIInChI=1S/C22H16ClN5O/c1-13-20-17(22(29)25-16-9-8-15(12-24)18(23)10-16)11-19(14-6-4-3-5-7-14)26-21(20)28(2)27-13/h3-11H,1-2H3,(H,25,29)
InChIKeyBCFRKMLDJWAFPI-UHFFFAOYSA-N
MW401.86 g/mol
LogP4.72
Rot. Bonds3

About N-(3-chloro-4-cyanophenyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(3-chloro-4-cyanophenyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 46687747) has the molecular formula C22H16ClN5O and a molecular weight of 401.86 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID46687747
Molecular FormulaC22H16ClN5O
Molecular Weight401.86 g/mol
Exact Mass401.10
IUPAC NameN-(3-chloro-4-cyanophenyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc(C#N)c(Cl)c3)c12
InChIInChI=1S/C22H16ClN5O/c1-13-20-17(22(29)25-16-9-8-15(12-24)18(23)10-16)11-19(14-6-4-3-5-7-14)26-21(20)28(2)27-13/h3-11H,1-2H3,(H,25,29)
InChIKeyBCFRKMLDJWAFPI-UHFFFAOYSA-N
XLogP4.72
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.86
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166199194
1,3-dimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16606126
N-[4-(cyclopropanecarbonylamino)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26064895
1,3-dimethyl-N-[4-(4-methylpyrimidin-2-yl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166207441
N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 36524540
N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 52662520
N-[3-(benzenesulfonamido)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55721310
1,3-dimethyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 139015887
1,3-dimethyl-N-(2-methyl-5-nitrophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 43038283
1,3-dimethyl-6-phenyl-N-(5-phenylpyrimidin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 146090748
N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 55727047
1,3-dimethyl-6-phenyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55783589

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 46687747) is N-(3-chloro-4-cyanophenyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc(C#N)c(Cl)c3)c12.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is BCFRKMLDJWAFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN5O/c1-13-20-17(22(29)25-16-9-8-15(12-24)18(23)10-16)11-19(14-6-4-3-5-7-14)26-21(20)28(2)27-13/h3-11H,1-2H3,(H,25,29).
What are the key properties of N-(3-chloro-4-cyanophenyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(3-chloro-4-cyanophenyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 401.86 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46687747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).