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

C21H19ClF2N4O2 — CID 155518813

IUPACN-(4-chlorophenyl)-3-[(3,4-difluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCn1nc(COc2ccc(F)c(F)c2)c2c1CCN(C(=O)Nc1ccc(Cl)cc1)C2
InChIInChI=1S/C21H19ClF2N4O2/c1-27-20-8-9-28(21(29)25-14-4-2-13(22)3-5-14)11-16(20)19(26-27)12-30-15-6-7-17(23)18(24)10-15/h2-7,10H,8-9,11-12H2,1H3,(H,25,29)
InChIKeyLGJMVACRNHEFEA-UHFFFAOYSA-N
MW432.86 g/mol
LogP4.52
Rot. Bonds4

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

N-(4-chlorophenyl)-3-[(3,4-difluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 155518813) has the molecular formula C21H19ClF2N4O2 and a molecular weight of 432.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[(3,4-difluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[(3,4-difluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID155518813
Molecular FormulaC21H19ClF2N4O2
Molecular Weight432.86 g/mol
Exact Mass432.12
IUPAC NameN-(4-chlorophenyl)-3-[(3,4-difluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCn1nc(COc2ccc(F)c(F)c2)c2c1CCN(C(=O)Nc1ccc(Cl)cc1)C2
InChIInChI=1S/C21H19ClF2N4O2/c1-27-20-8-9-28(21(29)25-14-4-2-13(22)3-5-14)11-16(20)19(26-27)12-30-15-6-7-17(23)18(24)10-15/h2-7,10H,8-9,11-12H2,1H3,(H,25,29)
InChIKeyLGJMVACRNHEFEA-UHFFFAOYSA-N
XLogP4.52
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.86
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[(3,4-difluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-[(3,4-difluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 155518813) is N-(4-chlorophenyl)-3-[(3,4-difluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[(3,4-difluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[(3,4-difluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is Cn1nc(COc2ccc(F)c(F)c2)c2c1CCN(C(=O)Nc1ccc(Cl)cc1)C2.
What is the InChIKey of N-(4-chlorophenyl)-3-[(3,4-difluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is LGJMVACRNHEFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF2N4O2/c1-27-20-8-9-28(21(29)25-14-4-2-13(22)3-5-14)11-16(20)19(26-27)12-30-15-6-7-17(23)18(24)10-15/h2-7,10H,8-9,11-12H2,1H3,(H,25,29).
What are the key properties of N-(4-chlorophenyl)-3-[(3,4-difluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
N-(4-chlorophenyl)-3-[(3,4-difluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 432.86 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[(3,4-difluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 155518813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).