N-(4-carbamoyl-3-methylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C21H19N5O2S — CID 56518414

IUPACN-(4-carbamoyl-3-methylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)ccc1C(N)=O
InChIInChI=1S/C21H19N5O2S/c1-11-9-13(6-7-14(11)19(22)27)23-21(28)15-10-16(17-5-4-8-29-17)24-20-18(15)12(2)25-26(20)3/h4-10H,1-3H3,(H2,22,27)(H,23,28)
InChIKeyBNJTZRKOJMOQAP-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.66
Rot. Bonds4

About N-(4-carbamoyl-3-methylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(4-carbamoyl-3-methylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 56518414) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-(4-carbamoyl-3-methylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoyl-3-methylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID56518414
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC NameN-(4-carbamoyl-3-methylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)ccc1C(N)=O
InChIInChI=1S/C21H19N5O2S/c1-11-9-13(6-7-14(11)19(22)27)23-21(28)15-10-16(17-5-4-8-29-17)24-20-18(15)12(2)25-26(20)3/h4-10H,1-3H3,(H2,22,27)(H,23,28)
InChIKeyBNJTZRKOJMOQAP-UHFFFAOYSA-N
XLogP3.66
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.66
H-Bond Donors ≤ 52
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
N-(1-ethylpyrazol-4-yl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44823072
N-[2-chloro-5-(propanoylamino)phenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55799425
ethyl 1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 43021003
N-[3-(3-cyanopropoxy)phenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55879220
N-[5-(ethylcarbamoyl)-2-methylphenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55782879
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32903006
1,3-dimethyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55905280
N-(3-cyclopentylsulfonylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 39208017
1,3-dimethyl-N-(1-propan-2-ylpyrazol-3-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44822456
N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 110001025
1,3-dimethyl-N-[3-(methylamino)propyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119432081

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-3-methylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(4-carbamoyl-3-methylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 56518414) is N-(4-carbamoyl-3-methylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(4-carbamoyl-3-methylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(4-carbamoyl-3-methylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(NC(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)ccc1C(N)=O.
What is the InChIKey of N-(4-carbamoyl-3-methylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is BNJTZRKOJMOQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2S/c1-11-9-13(6-7-14(11)19(22)27)23-21(28)15-10-16(17-5-4-8-29-17)24-20-18(15)12(2)25-26(20)3/h4-10H,1-3H3,(H2,22,27)(H,23,28).
What are the key properties of N-(4-carbamoyl-3-methylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(4-carbamoyl-3-methylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyl-3-methylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 56518414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).