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

C21H20F2N4O2 — CID 53018428

IUPAC3-[(4-fluorophenoxy)methyl]-N-(4-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCn1nc(COc2ccc(F)cc2)c2c1CCN(C(=O)Nc1ccc(F)cc1)C2
InChIInChI=1S/C21H20F2N4O2/c1-26-20-10-11-27(21(28)24-16-6-2-14(22)3-7-16)12-18(20)19(25-26)13-29-17-8-4-15(23)5-9-17/h2-9H,10-13H2,1H3,(H,24,28)
InChIKeyWDSGDVOGMJPXHH-UHFFFAOYSA-N
MW398.41 g/mol
LogP3.87
Rot. Bonds4

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

3-[(4-fluorophenoxy)methyl]-N-(4-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 53018428) has the molecular formula C21H20F2N4O2 and a molecular weight of 398.41 g/mol. Its IUPAC name is 3-[(4-fluorophenoxy)methyl]-N-(4-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-[(4-fluorophenoxy)methyl]-N-(4-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID53018428
Molecular FormulaC21H20F2N4O2
Molecular Weight398.41 g/mol
Exact Mass398.16
IUPAC Name3-[(4-fluorophenoxy)methyl]-N-(4-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCn1nc(COc2ccc(F)cc2)c2c1CCN(C(=O)Nc1ccc(F)cc1)C2
InChIInChI=1S/C21H20F2N4O2/c1-26-20-10-11-27(21(28)24-16-6-2-14(22)3-7-16)12-18(20)19(25-26)13-29-17-8-4-15(23)5-9-17/h2-9H,10-13H2,1H3,(H,24,28)
InChIKeyWDSGDVOGMJPXHH-UHFFFAOYSA-N
XLogP3.87
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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 45486732
CID 45486732
CID 11517754
CID 11517754
CID 45486711
CID 45486711
CID 45486726
CID 45486726
CID 45486731
CID 45486731

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenoxy)methyl]-N-(4-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 3-[(4-fluorophenoxy)methyl]-N-(4-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 53018428) is 3-[(4-fluorophenoxy)methyl]-N-(4-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 3-[(4-fluorophenoxy)methyl]-N-(4-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 3-[(4-fluorophenoxy)methyl]-N-(4-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is Cn1nc(COc2ccc(F)cc2)c2c1CCN(C(=O)Nc1ccc(F)cc1)C2.
What is the InChIKey of 3-[(4-fluorophenoxy)methyl]-N-(4-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is WDSGDVOGMJPXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O2/c1-26-20-10-11-27(21(28)24-16-6-2-14(22)3-7-16)12-18(20)19(25-26)13-29-17-8-4-15(23)5-9-17/h2-9H,10-13H2,1H3,(H,24,28).
What are the key properties of 3-[(4-fluorophenoxy)methyl]-N-(4-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
3-[(4-fluorophenoxy)methyl]-N-(4-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 398.41 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenoxy)methyl]-N-(4-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 53018428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).