N-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C25H18F2N4O2S — CID 2469100

IUPACN-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)Nc3ccc(OC(F)F)cc3)c12
InChIInChI=1S/C25H18F2N4O2S/c1-15-22-19(24(32)28-16-9-11-18(12-10-16)33-25(26)27)14-20(21-8-5-13-34-21)29-23(22)31(30-15)17-6-3-2-4-7-17/h2-14,25H,1H3,(H,28,32)
InChIKeyMKAXSASIXIBETE-UHFFFAOYSA-N
MW476.51 g/mol
LogP6.31
Rot. Bonds6

About N-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 2469100) has the molecular formula C25H18F2N4O2S and a molecular weight of 476.51 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID2469100
Molecular FormulaC25H18F2N4O2S
Molecular Weight476.51 g/mol
Exact Mass476.11
IUPAC NameN-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)Nc3ccc(OC(F)F)cc3)c12
InChIInChI=1S/C25H18F2N4O2S/c1-15-22-19(24(32)28-16-9-11-18(12-10-16)33-25(26)27)14-20(21-8-5-13-34-21)29-23(22)31(30-15)17-6-3-2-4-7-17/h2-14,25H,1H3,(H,28,32)
InChIKeyMKAXSASIXIBETE-UHFFFAOYSA-N
XLogP6.31
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.51
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 36811606
6-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 25247574
N-(4-methoxyphenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927920
1-cyanoethyl 3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 42898574
3,6-dimethyl-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927948
N-(4-carbamoyl-3-methylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56518414
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 42970739
[2-oxo-2-(prop-2-enylamino)ethyl] 3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 2607247
[2-(N-methylanilino)-2-oxoethyl] 3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 4543520
N-(4-methoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7899964
4-(difluoromethyl)-1-(4-methoxyphenyl)-3-methyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine
CID 29090038
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 18147237

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 2469100) is N-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)Nc3ccc(OC(F)F)cc3)c12.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is MKAXSASIXIBETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2N4O2S/c1-15-22-19(24(32)28-16-9-11-18(12-10-16)33-25(26)27)14-20(21-8-5-13-34-21)29-23(22)31(30-15)17-6-3-2-4-7-17/h2-14,25H,1H3,(H,28,32).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 476.51 g/mol, XLogP of 6.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-3-methyl-1-phenyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 2469100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).