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

C12H10F2N6O — CID 138387015

IUPAC5-(difluoromethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1[nH]nc2ncccc12)c1cc(C(F)F)[nH]n1
InChIInChI=1S/C12H10F2N6O/c13-10(14)7-4-8(18-17-7)12(21)16-5-9-6-2-1-3-15-11(6)20-19-9/h1-4,10H,5H2,(H,16,21)(H,17,18)(H,15,19,20)
InChIKeyKZXNXADWJBXOKM-UHFFFAOYSA-N
MW292.25 g/mol
LogP1.55
Rot. Bonds4

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

5-(difluoromethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide (PubChem CID 138387015) has the molecular formula C12H10F2N6O and a molecular weight of 292.25 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
PubChem CID138387015
Molecular FormulaC12H10F2N6O
Molecular Weight292.25 g/mol
Exact Mass292.09
IUPAC Name5-(difluoromethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1[nH]nc2ncccc12)c1cc(C(F)F)[nH]n1
InChIInChI=1S/C12H10F2N6O/c13-10(14)7-4-8(18-17-7)12(21)16-5-9-6-2-1-3-15-11(6)20-19-9/h1-4,10H,5H2,(H,16,21)(H,17,18)(H,15,19,20)
InChIKeyKZXNXADWJBXOKM-UHFFFAOYSA-N
XLogP1.55
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide (CID 138387015) is 5-(difluoromethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide is O=C(NCc1[nH]nc2ncccc12)c1cc(C(F)F)[nH]n1.
What is the InChIKey of 5-(difluoromethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is KZXNXADWJBXOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N6O/c13-10(14)7-4-8(18-17-7)12(21)16-5-9-6-2-1-3-15-11(6)20-19-9/h1-4,10H,5H2,(H,16,21)(H,17,18)(H,15,19,20).
What are the key properties of 5-(difluoromethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide?
5-(difluoromethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 292.25 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 138387015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).