N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide

C23H19N5OS — CID 19584177

IUPACN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCc1c(-c2cc(C(=O)Nc3sc4c(c3C#N)CCC4)c3ccccc3n2)cnn1C
InChIInChI=1S/C23H19N5OS/c1-13-18(12-25-28(13)2)20-10-16(14-6-3-4-8-19(14)26-20)22(29)27-23-17(11-24)15-7-5-9-21(15)30-23/h3-4,6,8,10,12H,5,7,9H2,1-2H3,(H,27,29)
InChIKeyCOFIAMAASOLPHG-UHFFFAOYSA-N
MW413.51 g/mol
LogP4.62
Rot. Bonds3

About N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 19584177) has the molecular formula C23H19N5OS and a molecular weight of 413.51 g/mol. Its IUPAC name is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide
PubChem CID19584177
Molecular FormulaC23H19N5OS
Molecular Weight413.51 g/mol
Exact Mass413.13
IUPAC NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCc1c(-c2cc(C(=O)Nc3sc4c(c3C#N)CCC4)c3ccccc3n2)cnn1C
InChIInChI=1S/C23H19N5OS/c1-13-18(12-25-28(13)2)20-10-16(14-6-3-4-8-19(14)26-20)22(29)27-23-17(11-24)15-7-5-9-21(15)30-23/h3-4,6,8,10,12H,5,7,9H2,1-2H3,(H,27,29)
InChIKeyCOFIAMAASOLPHG-UHFFFAOYSA-N
XLogP4.62
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4605668
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenylquinoline-4-carboxamide
CID 3129357
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)naphthalene-1-carboxamide
CID 924830
2-(1,5-dimethylpyrazol-4-yl)-N-(1-methylbenzimidazol-2-yl)quinoline-4-carboxamide
CID 19512369
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-methoxyphenyl)quinoline-4-carboxamide
CID 3272728
N-(2-benzoyl-4-chlorophenyl)-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512340
N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 7026803
2-(1,5-dimethylpyrazol-4-yl)-N-(2,6-dimethylquinolin-5-yl)quinoline-4-carboxamide
CID 46971014
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 3366554
2-[(2-phenylquinoline-4-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 2380625
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)naphthalene-1-carboxamide;hydrate
CID 16760525
4-bromo-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-methoxynaphthalene-2-carboxamide
CID 2237313

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide (CID 19584177) is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide is Cc1c(-c2cc(C(=O)Nc3sc4c(c3C#N)CCC4)c3ccccc3n2)cnn1C.
What is the InChIKey of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide?
The InChIKey is COFIAMAASOLPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5OS/c1-13-18(12-25-28(13)2)20-10-16(14-6-3-4-8-19(14)26-20)22(29)27-23-17(11-24)15-7-5-9-21(15)30-23/h3-4,6,8,10,12H,5,7,9H2,1-2H3,(H,27,29).
What are the key properties of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide?
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide has a molecular weight of 413.51 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 19584177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).