3-N-(4-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-3,4-diamine

C12H10FN5 — CID 137377472

IUPAC3-N-(4-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-3,4-diamine
SMILESNc1cncc2[nH]nc(Nc3ccc(F)cc3)c12
InChIInChI=1S/C12H10FN5/c13-7-1-3-8(4-2-7)16-12-11-9(14)5-15-6-10(11)17-18-12/h1-6H,14H2,(H2,16,17,18)
InChIKeyMCRWMYKROLNUHH-UHFFFAOYSA-N
MW243.25 g/mol
LogP2.42
Rot. Bonds2

About 3-N-(4-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-3,4-diamine

3-N-(4-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-3,4-diamine (PubChem CID 137377472) has the molecular formula C12H10FN5 and a molecular weight of 243.25 g/mol. Its IUPAC name is 3-N-(4-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-3,4-diamine.

Molecular Properties

Compound Name3-N-(4-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-3,4-diamine
PubChem CID137377472
Molecular FormulaC12H10FN5
Molecular Weight243.25 g/mol
Exact Mass243.09
IUPAC Name3-N-(4-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-3,4-diamine
SMILESNc1cncc2[nH]nc(Nc3ccc(F)cc3)c12
InChIInChI=1S/C12H10FN5/c13-7-1-3-8(4-2-7)16-12-11-9(14)5-15-6-10(11)17-18-12/h1-6H,14H2,(H2,16,17,18)
InChIKeyMCRWMYKROLNUHH-UHFFFAOYSA-N
XLogP2.42
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(4-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-3,4-diamine?
The IUPAC name of 3-N-(4-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-3,4-diamine (CID 137377472) is 3-N-(4-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-3,4-diamine.
What is the SMILES notation for 3-N-(4-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-3,4-diamine?
The canonical SMILES for 3-N-(4-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-3,4-diamine is Nc1cncc2[nH]nc(Nc3ccc(F)cc3)c12.
What is the InChIKey of 3-N-(4-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-3,4-diamine?
The InChIKey is MCRWMYKROLNUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5/c13-7-1-3-8(4-2-7)16-12-11-9(14)5-15-6-10(11)17-18-12/h1-6H,14H2,(H2,16,17,18).
What are the key properties of 3-N-(4-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-3,4-diamine?
3-N-(4-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-3,4-diamine has a molecular weight of 243.25 g/mol, XLogP of 2.42, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-3,4-diamine is sourced from PubChem (CID 137377472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).