1-(difluoromethyl)-5-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrrole-2-carboxamide

C14H13F2N5O — CID 138806208

IUPAC1-(difluoromethyl)-5-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrrole-2-carboxamide
SMILESCc1ccc(C(=O)NCc2[nH]nc3ncccc23)n1C(F)F
InChIInChI=1S/C14H13F2N5O/c1-8-4-5-11(21(8)14(15)16)13(22)18-7-10-9-3-2-6-17-12(9)20-19-10/h2-6,14H,7H2,1H3,(H,18,22)(H,17,19,20)
InChIKeyRNZPDOPVEBPESE-UHFFFAOYSA-N
MW305.29 g/mol
LogP2.39
Rot. Bonds4

About 1-(difluoromethyl)-5-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrrole-2-carboxamide

1-(difluoromethyl)-5-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrrole-2-carboxamide (PubChem CID 138806208) has the molecular formula C14H13F2N5O and a molecular weight of 305.29 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-5-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrrole-2-carboxamide
PubChem CID138806208
Molecular FormulaC14H13F2N5O
Molecular Weight305.29 g/mol
Exact Mass305.11
IUPAC Name1-(difluoromethyl)-5-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrrole-2-carboxamide
SMILESCc1ccc(C(=O)NCc2[nH]nc3ncccc23)n1C(F)F
InChIInChI=1S/C14H13F2N5O/c1-8-4-5-11(21(8)14(15)16)13(22)18-7-10-9-3-2-6-17-12(9)20-19-10/h2-6,14H,7H2,1H3,(H,18,22)(H,17,19,20)
InChIKeyRNZPDOPVEBPESE-UHFFFAOYSA-N
XLogP2.39
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(difluoromethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 138387015
2,4,5-trimethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 138381067
1-cyclopropyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 138383819
6-methyl-2-oxo-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 138386065
3,5-difluoro-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 138380246
2-fluoro-4-hydroxy-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzamide
CID 138378650
4-imidazol-1-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)benzamide
CID 138385789
3-ethyl-5-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 138381918
formic acid;5-methyl-3-phenyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide
CID 155937954
N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 138384485
2-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 138380473
4-ethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 154819196

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 1-(difluoromethyl)-5-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrrole-2-carboxamide (CID 138806208) is 1-(difluoromethyl)-5-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-5-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-5-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrrole-2-carboxamide is Cc1ccc(C(=O)NCc2[nH]nc3ncccc23)n1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-5-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is RNZPDOPVEBPESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N5O/c1-8-4-5-11(21(8)14(15)16)13(22)18-7-10-9-3-2-6-17-12(9)20-19-10/h2-6,14H,7H2,1H3,(H,18,22)(H,17,19,20).
What are the key properties of 1-(difluoromethyl)-5-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrrole-2-carboxamide?
1-(difluoromethyl)-5-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 305.29 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 138806208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).