4,5-dimethyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide

C13H14N6O — CID 90241214

IUPAC4,5-dimethyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cnc3n[nH]c(C)c3c2)c1C
InChIInChI=1S/C13H14N6O/c1-6-7(2)16-18-11(6)13(20)15-9-4-10-8(3)17-19-12(10)14-5-9/h4-5H,1-3H3,(H,15,20)(H,16,18)(H,14,17,19)
InChIKeyANERYXRMFWJMKO-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.86
Rot. Bonds2

About 4,5-dimethyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide

4,5-dimethyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide (PubChem CID 90241214) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 4,5-dimethyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide
PubChem CID90241214
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name4,5-dimethyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cnc3n[nH]c(C)c3c2)c1C
InChIInChI=1S/C13H14N6O/c1-6-7(2)16-18-11(6)13(20)15-9-4-10-8(3)17-19-12(10)14-5-9/h4-5H,1-3H3,(H,15,20)(H,16,18)(H,14,17,19)
InChIKeyANERYXRMFWJMKO-UHFFFAOYSA-N
XLogP1.86
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-5-yl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 166816512
5-methyl-1-(4-methylphenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)triazole-4-carboxamide
CID 86843572
N-(4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110858631
4-cyano-2,6-difluoro-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 75393131
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-(propanoylamino)benzamide
CID 86843550
3-benzamido-4-methyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 86843489
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 86843516
3-methoxy-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-propan-2-yloxybenzamide
CID 86843240
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-(3,3,3-trifluoropropyl)benzamide
CID 99715700
4,5-dimethyl-N-(2-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide
CID 90240834
1-(4-methyloxan-4-yl)-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)urea
CID 75447177
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 139010453

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4,5-dimethyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide (CID 90241214) is 4,5-dimethyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)Nc2cnc3n[nH]c(C)c3c2)c1C.
What is the InChIKey of 4,5-dimethyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is ANERYXRMFWJMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-6-7(2)16-18-11(6)13(20)15-9-4-10-8(3)17-19-12(10)14-5-9/h4-5H,1-3H3,(H,15,20)(H,16,18)(H,14,17,19).
What are the key properties of 4,5-dimethyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide?
4,5-dimethyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 270.30 g/mol, XLogP of 1.86, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 90241214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).