N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide

C20H20N6O — CID 86917124

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)c1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C20H20N6O/c1-12-17-10-15(11-21-19(17)25(4)23-12)20(27)22-18-13(2)24-26(14(18)3)16-8-6-5-7-9-16/h5-11H,1-4H3,(H,22,27)
InChIKeyKXVFJZNNQCFCAW-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.33
Rot. Bonds3

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 86917124) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID86917124
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)c1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C20H20N6O/c1-12-17-10-15(11-21-19(17)25(4)23-12)20(27)22-18-13(2)24-26(14(18)3)16-8-6-5-7-9-16/h5-11H,1-4H3,(H,22,27)
InChIKeyKXVFJZNNQCFCAW-UHFFFAOYSA-N
XLogP3.33
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 134024964
1,3-dimethyl-N-(1-phenylbenzimidazol-2-yl)pyrazolo[5,4-b]pyridine-5-carboxamide
CID 78892323
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethylbenzamide
CID 16575158
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide
CID 134024963
N-[4-(dimethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839537
1,3-dimethyl-N-(4-pyrimidin-2-yloxyphenyl)pyrazolo[5,4-b]pyridine-5-carboxamide
CID 87010918
N-(4-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31316920
N-[4-(diethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 30898812
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 55515849
1,3-dimethyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 78860229
N-[4-(2-hydroxyethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 110902184
4-fluoro-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 108753718

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide (CID 86917124) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cnc2c(c1)c(C)nn2C.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is KXVFJZNNQCFCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-12-17-10-15(11-21-19(17)25(4)23-12)20(27)22-18-13(2)24-26(14(18)3)16-8-6-5-7-9-16/h5-11H,1-4H3,(H,22,27).
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 86917124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).