N-cyclopropyl-1-(4-fluorophenyl)-3,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide

C18H17FN4O2 — CID 50829330

IUPACN-cyclopropyl-1-(4-fluorophenyl)-3,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c2c1c(=O)c(C(=O)NC1CC1)cn2C
InChIInChI=1S/C18H17FN4O2/c1-10-15-16(24)14(17(25)20-12-5-6-12)9-22(2)18(15)23(21-10)13-7-3-11(19)4-8-13/h3-4,7-9,12H,5-6H2,1-2H3,(H,20,25)
InChIKeyJNCDIHKVOSVYDY-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.06
Rot. Bonds3

About N-cyclopropyl-1-(4-fluorophenyl)-3,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide

N-cyclopropyl-1-(4-fluorophenyl)-3,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 50829330) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is N-cyclopropyl-1-(4-fluorophenyl)-3,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(4-fluorophenyl)-3,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID50829330
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC NameN-cyclopropyl-1-(4-fluorophenyl)-3,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c2c1c(=O)c(C(=O)NC1CC1)cn2C
InChIInChI=1S/C18H17FN4O2/c1-10-15-16(24)14(17(25)20-12-5-6-12)9-22(2)18(15)23(21-10)13-7-3-11(19)4-8-13/h3-4,7-9,12H,5-6H2,1-2H3,(H,20,25)
InChIKeyJNCDIHKVOSVYDY-UHFFFAOYSA-N
XLogP2.06
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-(4-fluorophenyl)-3,7-dimethylpyrazolo[5,4-b]pyridin-4-one
CID 50829319
N-(4-aminocyclohexyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119477007
1-(4-fluorophenyl)-5-methyl-N-piperidin-4-ylpyrazole-4-carboxamide
CID 119387105
4-[5-acetamido-4-(4-fluorophenyl)-3-methylpyrazol-1-yl]-N-cyclopropylbenzamide
CID 46334938
1-(4-fluorophenyl)-5-methyl-N-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 119387104
N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55631027
N-cyclopentyl-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 46489384
N-cyclohexyl-1,3-dimethyl-7-(2-morpholin-4-ylethyl)-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide
CID 71562651
N-cyclopropyl-3-[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide
CID 42850586
N-cyclopropyl-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 18136479
N-cyclopentyl-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide
CID 53169768
N-cyclopropyl-3-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-5-carboxamide
CID 812037

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(4-fluorophenyl)-3,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-cyclopropyl-1-(4-fluorophenyl)-3,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide (CID 50829330) is N-cyclopropyl-1-(4-fluorophenyl)-3,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(4-fluorophenyl)-3,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(4-fluorophenyl)-3,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(-c2ccc(F)cc2)c2c1c(=O)c(C(=O)NC1CC1)cn2C.
What is the InChIKey of N-cyclopropyl-1-(4-fluorophenyl)-3,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is JNCDIHKVOSVYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-10-15-16(24)14(17(25)20-12-5-6-12)9-22(2)18(15)23(21-10)13-7-3-11(19)4-8-13/h3-4,7-9,12H,5-6H2,1-2H3,(H,20,25).
What are the key properties of N-cyclopropyl-1-(4-fluorophenyl)-3,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide?
N-cyclopropyl-1-(4-fluorophenyl)-3,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 340.36 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(4-fluorophenyl)-3,7-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 50829330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).