N-(4-fluorophenyl)-4-(furan-2-yl)-6-methyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxamide

C18H15FN4O2 — CID 91933600

IUPACN-(4-fluorophenyl)-4-(furan-2-yl)-6-methyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCC1=Nc2[nH]ncc2C(c2ccco2)C1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H15FN4O2/c1-10-15(18(24)22-12-6-4-11(19)5-7-12)16(14-3-2-8-25-14)13-9-20-23-17(13)21-10/h2-9,15-16H,1H3,(H,20,23)(H,22,24)
InChIKeyVSMLWNDXDGJMSS-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.63
Rot. Bonds3

About N-(4-fluorophenyl)-4-(furan-2-yl)-6-methyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxamide

N-(4-fluorophenyl)-4-(furan-2-yl)-6-methyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 91933600) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(furan-2-yl)-6-methyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(furan-2-yl)-6-methyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID91933600
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC NameN-(4-fluorophenyl)-4-(furan-2-yl)-6-methyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCC1=Nc2[nH]ncc2C(c2ccco2)C1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H15FN4O2/c1-10-15(18(24)22-12-6-4-11(19)5-7-12)16(14-3-2-8-25-14)13-9-20-23-17(13)21-10/h2-9,15-16H,1H3,(H,20,23)(H,22,24)
InChIKeyVSMLWNDXDGJMSS-UHFFFAOYSA-N
XLogP3.63
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(furan-2-yl)-6-methyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-(furan-2-yl)-6-methyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxamide (CID 91933600) is N-(4-fluorophenyl)-4-(furan-2-yl)-6-methyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-(furan-2-yl)-6-methyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-(furan-2-yl)-6-methyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxamide is CC1=Nc2[nH]ncc2C(c2ccco2)C1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-(furan-2-yl)-6-methyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is VSMLWNDXDGJMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-10-15(18(24)22-12-6-4-11(19)5-7-12)16(14-3-2-8-25-14)13-9-20-23-17(13)21-10/h2-9,15-16H,1H3,(H,20,23)(H,22,24).
What are the key properties of N-(4-fluorophenyl)-4-(furan-2-yl)-6-methyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxamide?
N-(4-fluorophenyl)-4-(furan-2-yl)-6-methyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 338.34 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(furan-2-yl)-6-methyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 91933600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).