ethyl 4-cyclopropyl-2-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]thiophene-3-carboxylate

C22H24N4O3S — CID 52555641

IUPACethyl 4-cyclopropyl-2-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)csc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C
InChIInChI=1S/C22H24N4O3S/c1-4-29-22(28)18-15(12-5-6-12)10-30-21(18)24-20(27)14-9-16(13-7-8-13)23-19-17(14)11(2)25-26(19)3/h9-10,12-13H,4-8H2,1-3H3,(H,24,27)
InChIKeyUBXAMSWVXSILCS-UHFFFAOYSA-N
MW424.53 g/mol
LogP4.52
Rot. Bonds6

About ethyl 4-cyclopropyl-2-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]thiophene-3-carboxylate

ethyl 4-cyclopropyl-2-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]thiophene-3-carboxylate (PubChem CID 52555641) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is ethyl 4-cyclopropyl-2-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyclopropyl-2-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]thiophene-3-carboxylate
PubChem CID52555641
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Nameethyl 4-cyclopropyl-2-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)csc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C
InChIInChI=1S/C22H24N4O3S/c1-4-29-22(28)18-15(12-5-6-12)10-30-21(18)24-20(27)14-9-16(13-7-8-13)23-19-17(14)11(2)25-26(19)3/h9-10,12-13H,4-8H2,1-3H3,(H,24,27)
InChIKeyUBXAMSWVXSILCS-UHFFFAOYSA-N
XLogP4.52
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-cyclopropyl-2-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]thiophene-3-carboxylate with MolForge

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Related Compounds

6-cyclopropyl-N-ethoxy-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 52555845
methyl 6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19616466
6-cyclopropyl-1,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 31266028
6-cyclopropyl-N-(2-hydroxypropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 110886666
6-cyclopropyl-N-(1-ethyl-5-methylpyrazol-4-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44823436
N-butyl-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46514383
6-cyclopropyl-N-(dicyclopropylmethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 36574852
6-cyclopropyl-N-[(2S)-2-(diethylamino)-3-methylbutyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 38600870
6-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16622505
ethyl 4-cyclopropyl-2-[(2-ethoxybenzoyl)amino]thiophene-3-carboxylate
CID 52897079
ethyl 4-cyclopropyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
CID 51535452
6-cyclopropyl-1,3-dimethyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 146154521

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclopropyl-2-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-cyclopropyl-2-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]thiophene-3-carboxylate (CID 52555641) is ethyl 4-cyclopropyl-2-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-cyclopropyl-2-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-cyclopropyl-2-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]thiophene-3-carboxylate is CCOC(=O)c1c(C2CC2)csc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C.
What is the InChIKey of ethyl 4-cyclopropyl-2-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]thiophene-3-carboxylate?
The InChIKey is UBXAMSWVXSILCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-4-29-22(28)18-15(12-5-6-12)10-30-21(18)24-20(27)14-9-16(13-7-8-13)23-19-17(14)11(2)25-26(19)3/h9-10,12-13H,4-8H2,1-3H3,(H,24,27).
What are the key properties of ethyl 4-cyclopropyl-2-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]thiophene-3-carboxylate?
ethyl 4-cyclopropyl-2-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]thiophene-3-carboxylate has a molecular weight of 424.53 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclopropyl-2-[(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 52555641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).