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

C22H23FN4O3 — CID 53018421

IUPACN-(3-fluoro-4-methoxyphenyl)-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCOc1ccc(NC(=O)N2CCc3c(c(COc4ccccc4)nn3C)C2)cc1F
InChIInChI=1S/C22H23FN4O3/c1-26-20-10-11-27(22(28)24-15-8-9-21(29-2)18(23)12-15)13-17(20)19(25-26)14-30-16-6-4-3-5-7-16/h3-9,12H,10-11,13-14H2,1-2H3,(H,24,28)
InChIKeyPWYHOUXGZABSNR-UHFFFAOYSA-N
MW410.45 g/mol
LogP3.74
Rot. Bonds5

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

N-(3-fluoro-4-methoxyphenyl)-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 53018421) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID53018421
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCOc1ccc(NC(=O)N2CCc3c(c(COc4ccccc4)nn3C)C2)cc1F
InChIInChI=1S/C22H23FN4O3/c1-26-20-10-11-27(22(28)24-15-8-9-21(29-2)18(23)12-15)13-17(20)19(25-26)14-30-16-6-4-3-5-7-16/h3-9,12H,10-11,13-14H2,1-2H3,(H,24,28)
InChIKeyPWYHOUXGZABSNR-UHFFFAOYSA-N
XLogP3.74
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 53018421) is N-(3-fluoro-4-methoxyphenyl)-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is COc1ccc(NC(=O)N2CCc3c(c(COc4ccccc4)nn3C)C2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is PWYHOUXGZABSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-26-20-10-11-27(22(28)24-15-8-9-21(29-2)18(23)12-15)13-17(20)19(25-26)14-30-16-6-4-3-5-7-16/h3-9,12H,10-11,13-14H2,1-2H3,(H,24,28).
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
N-(3-fluoro-4-methoxyphenyl)-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 3.74, 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)-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 53018421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).