N-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C20H17FN4O3 — CID 25284864

IUPACN-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)N1CCc2[nH]nc(-c3ccccc3F)c2C1
InChIInChI=1S/C20H17FN4O3/c21-15-4-2-1-3-13(15)19-14-10-25(8-7-16(14)23-24-19)20(26)22-12-5-6-17-18(9-12)28-11-27-17/h1-6,9H,7-8,10-11H2,(H,22,26)(H,23,24)
InChIKeyYDJRQYJDKDPLEB-UHFFFAOYSA-N
MW380.38 g/mol
LogP3.53
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

N-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 25284864) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID25284864
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)N1CCc2[nH]nc(-c3ccccc3F)c2C1
InChIInChI=1S/C20H17FN4O3/c21-15-4-2-1-3-13(15)19-14-10-25(8-7-16(14)23-24-19)20(26)22-12-5-6-17-18(9-12)28-11-27-17/h1-6,9H,7-8,10-11H2,(H,22,26)(H,23,24)
InChIKeyYDJRQYJDKDPLEB-UHFFFAOYSA-N
XLogP3.53
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 25284864) is N-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is O=C(Nc1ccc2c(c1)OCO2)N1CCc2[nH]nc(-c3ccccc3F)c2C1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is YDJRQYJDKDPLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3/c21-15-4-2-1-3-13(15)19-14-10-25(8-7-16(14)23-24-19)20(26)22-12-5-6-17-18(9-12)28-11-27-17/h1-6,9H,7-8,10-11H2,(H,22,26)(H,23,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
N-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 380.38 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 25284864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).