N-methyl-1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C25H28N4O3 — CID 139382541

IUPACN-methyl-1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCNC(=O)N1CCc2c(c(-c3cccc(Oc4ccccc4)c3)nn2C2CCOCC2)C1
InChIInChI=1S/C25H28N4O3/c1-26-25(30)28-13-10-23-22(17-28)24(27-29(23)19-11-14-31-15-12-19)18-6-5-9-21(16-18)32-20-7-3-2-4-8-20/h2-9,16,19H,10-15,17H2,1H3,(H,26,30)
InChIKeyYLXLEBWQGPHAMD-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.39
Rot. Bonds4

About N-methyl-1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

N-methyl-1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 139382541) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-methyl-1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID139382541
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC NameN-methyl-1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCNC(=O)N1CCc2c(c(-c3cccc(Oc4ccccc4)c3)nn2C2CCOCC2)C1
InChIInChI=1S/C25H28N4O3/c1-26-25(30)28-13-10-23-22(17-28)24(27-29(23)19-11-14-31-15-12-19)18-6-5-9-21(16-18)32-20-7-3-2-4-8-20/h2-9,16,19H,10-15,17H2,1H3,(H,26,30)
InChIKeyYLXLEBWQGPHAMD-UHFFFAOYSA-N
XLogP4.39
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-methyl-1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 139382541) is N-methyl-1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-methyl-1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-methyl-1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is CNC(=O)N1CCc2c(c(-c3cccc(Oc4ccccc4)c3)nn2C2CCOCC2)C1.
What is the InChIKey of N-methyl-1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is YLXLEBWQGPHAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-26-25(30)28-13-10-23-22(17-28)24(27-29(23)19-11-14-31-15-12-19)18-6-5-9-21(16-18)32-20-7-3-2-4-8-20/h2-9,16,19H,10-15,17H2,1H3,(H,26,30).
What are the key properties of N-methyl-1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
N-methyl-1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 139382541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).