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

C23H25FN4O2 — CID 53018424

IUPACN-(3,4-dimethylphenyl)-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1ccc(NC(=O)N2CCc3c(c(COc4ccc(F)cc4)nn3C)C2)cc1C
InChIInChI=1S/C23H25FN4O2/c1-15-4-7-18(12-16(15)2)25-23(29)28-11-10-22-20(13-28)21(26-27(22)3)14-30-19-8-5-17(24)6-9-19/h4-9,12H,10-11,13-14H2,1-3H3,(H,25,29)
InChIKeyKKGBPWPVUUDVRR-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.35
Rot. Bonds4

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

N-(3,4-dimethylphenyl)-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 53018424) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID53018424
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC NameN-(3,4-dimethylphenyl)-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1ccc(NC(=O)N2CCc3c(c(COc4ccc(F)cc4)nn3C)C2)cc1C
InChIInChI=1S/C23H25FN4O2/c1-15-4-7-18(12-16(15)2)25-23(29)28-11-10-22-20(13-28)21(26-27(22)3)14-30-19-8-5-17(24)6-9-19/h4-9,12H,10-11,13-14H2,1-3H3,(H,25,29)
InChIKeyKKGBPWPVUUDVRR-UHFFFAOYSA-N
XLogP4.35
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 53018424) is N-(3,4-dimethylphenyl)-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is Cc1ccc(NC(=O)N2CCc3c(c(COc4ccc(F)cc4)nn3C)C2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is KKGBPWPVUUDVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-15-4-7-18(12-16(15)2)25-23(29)28-11-10-22-20(13-28)21(26-27(22)3)14-30-19-8-5-17(24)6-9-19/h4-9,12H,10-11,13-14H2,1-3H3,(H,25,29).
What are the key properties of N-(3,4-dimethylphenyl)-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
N-(3,4-dimethylphenyl)-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-[(4-fluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 53018424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).