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

C22H22F2N4O2 — CID 53018253

IUPACN-(3-fluorophenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCn1nc(COCc2ccccc2F)c2c1CCN(C(=O)Nc1cccc(F)c1)C2
InChIInChI=1S/C22H22F2N4O2/c1-27-21-9-10-28(22(29)25-17-7-4-6-16(23)11-17)12-18(21)20(26-27)14-30-13-15-5-2-3-8-19(15)24/h2-8,11H,9-10,12-14H2,1H3,(H,25,29)
InChIKeyKGWVLKHKOTYRSM-UHFFFAOYSA-N
MW412.44 g/mol
LogP4.01
Rot. Bonds5

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

N-(3-fluorophenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 53018253) has the molecular formula C22H22F2N4O2 and a molecular weight of 412.44 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID53018253
Molecular FormulaC22H22F2N4O2
Molecular Weight412.44 g/mol
Exact Mass412.17
IUPAC NameN-(3-fluorophenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCn1nc(COCc2ccccc2F)c2c1CCN(C(=O)Nc1cccc(F)c1)C2
InChIInChI=1S/C22H22F2N4O2/c1-27-21-9-10-28(22(29)25-17-7-4-6-16(23)11-17)12-18(21)20(26-27)14-30-13-15-5-2-3-8-19(15)24/h2-8,11H,9-10,12-14H2,1H3,(H,25,29)
InChIKeyKGWVLKHKOTYRSM-UHFFFAOYSA-N
XLogP4.01
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 53018253) is N-(3-fluorophenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is Cn1nc(COCc2ccccc2F)c2c1CCN(C(=O)Nc1cccc(F)c1)C2.
What is the InChIKey of N-(3-fluorophenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is KGWVLKHKOTYRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O2/c1-27-21-9-10-28(22(29)25-17-7-4-6-16(23)11-17)12-18(21)20(26-27)14-30-13-15-5-2-3-8-19(15)24/h2-8,11H,9-10,12-14H2,1H3,(H,25,29).
What are the key properties of N-(3-fluorophenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
N-(3-fluorophenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 412.44 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 53018253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).