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

C26H24FN5O4 — CID 53066624

IUPACN-[(4-fluorophenyl)methyl]-5-[5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N3CCc4c(c(C(=O)NCc5ccc(F)cc5)nn4C)C3)no2)cc1
InChIInChI=1S/C26H24FN5O4/c1-31-22-11-12-32(26(34)21-13-23(36-30-21)17-5-9-19(35-2)10-6-17)15-20(22)24(29-31)25(33)28-14-16-3-7-18(27)8-4-16/h3-10,13H,11-12,14-15H2,1-2H3,(H,28,33)
InChIKeyKEXTXJVPGDKEGS-UHFFFAOYSA-N
MW489.51 g/mol
LogP3.35
Rot. Bonds6

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

N-[(4-fluorophenyl)methyl]-5-[5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 53066624) has the molecular formula C26H24FN5O4 and a molecular weight of 489.51 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-[5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-[5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID53066624
Molecular FormulaC26H24FN5O4
Molecular Weight489.51 g/mol
Exact Mass489.18
IUPAC NameN-[(4-fluorophenyl)methyl]-5-[5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N3CCc4c(c(C(=O)NCc5ccc(F)cc5)nn4C)C3)no2)cc1
InChIInChI=1S/C26H24FN5O4/c1-31-22-11-12-32(26(34)21-13-23(36-30-21)17-5-9-19(35-2)10-6-17)15-20(22)24(29-31)25(33)28-14-16-3-7-18(27)8-4-16/h3-10,13H,11-12,14-15H2,1-2H3,(H,28,33)
InChIKeyKEXTXJVPGDKEGS-UHFFFAOYSA-N
XLogP3.35
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.51
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-(4-chlorophenoxy)acetyl]-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066561
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-5-(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 46323043
N-benzyl-1-methyl-5-(3,4,5-trimethoxybenzoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53027400
N-[(4-chlorophenyl)methyl]-5-(2,6-difluorobenzoyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066494
5-[2-(4-fluorophenoxy)acetyl]-1-methyl-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066540
N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 93139934
5-[2-(4-methoxyphenoxy)acetyl]-1-methyl-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066539
N-[(4-fluorophenyl)methyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389004
5-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 53159032
5-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53066677
N-[(4-methoxyphenyl)methyl]-5-(pyridine-4-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26215805
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 19323301

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-[5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-[5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 53066624) is N-[(4-fluorophenyl)methyl]-5-[5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-[5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-[5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is COc1ccc(-c2cc(C(=O)N3CCc4c(c(C(=O)NCc5ccc(F)cc5)nn4C)C3)no2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-[5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is KEXTXJVPGDKEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O4/c1-31-22-11-12-32(26(34)21-13-23(36-30-21)17-5-9-19(35-2)10-6-17)15-20(22)24(29-31)25(33)28-14-16-3-7-18(27)8-4-16/h3-10,13H,11-12,14-15H2,1-2H3,(H,28,33).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-[5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-5-[5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 489.51 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-[5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 53066624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).