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

C22H22F2N4O3 — CID 53018444

IUPACN-(3-fluoro-4-methoxyphenyl)-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCOc1ccc(NC(=O)N2CCc3c(c(COc4ccc(F)cc4)nn3C)C2)cc1F
InChIInChI=1S/C22H22F2N4O3/c1-27-20-9-10-28(22(29)25-15-5-8-21(30-2)18(24)11-15)12-17(20)19(26-27)13-31-16-6-3-14(23)4-7-16/h3-8,11H,9-10,12-13H2,1-2H3,(H,25,29)
InChIKeyVPKVVOOZJIXTTC-UHFFFAOYSA-N
MW428.44 g/mol
LogP3.88
Rot. Bonds5

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

N-(3-fluoro-4-methoxyphenyl)-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 53018444) has the molecular formula C22H22F2N4O3 and a molecular weight of 428.44 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID53018444
Molecular FormulaC22H22F2N4O3
Molecular Weight428.44 g/mol
Exact Mass428.17
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCOc1ccc(NC(=O)N2CCc3c(c(COc4ccc(F)cc4)nn3C)C2)cc1F
InChIInChI=1S/C22H22F2N4O3/c1-27-20-9-10-28(22(29)25-15-5-8-21(30-2)18(24)11-15)12-17(20)19(26-27)13-31-16-6-3-14(23)4-7-16/h3-8,11H,9-10,12-13H2,1-2H3,(H,25,29)
InChIKeyVPKVVOOZJIXTTC-UHFFFAOYSA-N
XLogP3.88
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 10972838
CID 10972838
CID 44555382
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CID 45486657
CID 45486657
CID 45486658
CID 45486658
CID 45486665
CID 45486665
CID 45486672
CID 45486672
CID 45486696
CID 45486696
CID 45486713
CID 45486713
CID 45486727
CID 45486727
CID 45486733
CID 45486733
CID 45486732
CID 45486732
CID 11517754
CID 11517754

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 53018444) is N-(3-fluoro-4-methoxyphenyl)-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is COc1ccc(NC(=O)N2CCc3c(c(COc4ccc(F)cc4)nn3C)C2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is VPKVVOOZJIXTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O3/c1-27-20-9-10-28(22(29)25-15-5-8-21(30-2)18(24)11-15)12-17(20)19(26-27)13-31-16-6-3-14(23)4-7-16/h3-8,11H,9-10,12-13H2,1-2H3,(H,25,29).
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
N-(3-fluoro-4-methoxyphenyl)-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 428.44 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 53018444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).