2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-pyridin-2-ylpropanamide

C20H19F2N5O — CID 56738598

IUPAC2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-pyridin-2-ylpropanamide
SMILESCC(C(=O)Nc1ccccn1)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1
InChIInChI=1S/C20H19F2N5O/c1-12(20(28)24-18-4-2-3-8-23-18)27-9-7-17-14(11-27)19(26-25-17)13-5-6-15(21)16(22)10-13/h2-6,8,10,12H,7,9,11H2,1H3,(H,25,26)(H,23,24,28)
InChIKeyVCYRXFNDOQKICX-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.14
Rot. Bonds4

About 2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-pyridin-2-ylpropanamide

2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-pyridin-2-ylpropanamide (PubChem CID 56738598) has the molecular formula C20H19F2N5O and a molecular weight of 383.40 g/mol. Its IUPAC name is 2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-pyridin-2-ylpropanamide
PubChem CID56738598
Molecular FormulaC20H19F2N5O
Molecular Weight383.40 g/mol
Exact Mass383.16
IUPAC Name2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-pyridin-2-ylpropanamide
SMILESCC(C(=O)Nc1ccccn1)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1
InChIInChI=1S/C20H19F2N5O/c1-12(20(28)24-18-4-2-3-8-23-18)27-9-7-17-14(11-27)19(26-25-17)13-5-6-15(21)16(22)10-13/h2-6,8,10,12H,7,9,11H2,1H3,(H,25,26)(H,23,24,28)
InChIKeyVCYRXFNDOQKICX-UHFFFAOYSA-N
XLogP3.14
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-pyridin-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-pyridin-2-ylpropanamide?
The IUPAC name of 2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-pyridin-2-ylpropanamide (CID 56738598) is 2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-pyridin-2-ylpropanamide?
The canonical SMILES for 2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-pyridin-2-ylpropanamide is CC(C(=O)Nc1ccccn1)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1.
What is the InChIKey of 2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-pyridin-2-ylpropanamide?
The InChIKey is VCYRXFNDOQKICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O/c1-12(20(28)24-18-4-2-3-8-23-18)27-9-7-17-14(11-27)19(26-25-17)13-5-6-15(21)16(22)10-13/h2-6,8,10,12H,7,9,11H2,1H3,(H,25,26)(H,23,24,28).
What are the key properties of 2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-pyridin-2-ylpropanamide?
2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-pyridin-2-ylpropanamide has a molecular weight of 383.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 56738598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).