3-[(3-fluorophenyl)methoxymethyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C19H25FN4O2 — CID 53018329

IUPAC3-[(3-fluorophenyl)methoxymethyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCC(C)NC(=O)N1CCc2c(c(COCc3cccc(F)c3)nn2C)C1
InChIInChI=1S/C19H25FN4O2/c1-13(2)21-19(25)24-8-7-18-16(10-24)17(22-23(18)3)12-26-11-14-5-4-6-15(20)9-14/h4-6,9,13H,7-8,10-12H2,1-3H3,(H,21,25)
InChIKeyOYOIMBQOWIAMAM-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.75
Rot. Bonds5

About 3-[(3-fluorophenyl)methoxymethyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

3-[(3-fluorophenyl)methoxymethyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 53018329) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methoxymethyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methoxymethyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID53018329
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name3-[(3-fluorophenyl)methoxymethyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCC(C)NC(=O)N1CCc2c(c(COCc3cccc(F)c3)nn2C)C1
InChIInChI=1S/C19H25FN4O2/c1-13(2)21-19(25)24-8-7-18-16(10-24)17(22-23(18)3)12-26-11-14-5-4-6-15(20)9-14/h4-6,9,13H,7-8,10-12H2,1-3H3,(H,21,25)
InChIKeyOYOIMBQOWIAMAM-UHFFFAOYSA-N
XLogP2.75
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methoxymethyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 3-[(3-fluorophenyl)methoxymethyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 53018329) is 3-[(3-fluorophenyl)methoxymethyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 3-[(3-fluorophenyl)methoxymethyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 3-[(3-fluorophenyl)methoxymethyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is CC(C)NC(=O)N1CCc2c(c(COCc3cccc(F)c3)nn2C)C1.
What is the InChIKey of 3-[(3-fluorophenyl)methoxymethyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is OYOIMBQOWIAMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-13(2)21-19(25)24-8-7-18-16(10-24)17(22-23(18)3)12-26-11-14-5-4-6-15(20)9-14/h4-6,9,13H,7-8,10-12H2,1-3H3,(H,21,25).
What are the key properties of 3-[(3-fluorophenyl)methoxymethyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
3-[(3-fluorophenyl)methoxymethyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 360.43 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methoxymethyl]-1-methyl-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 53018329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).