5-(4-chlorophenyl)-2-[(6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl)amino]thiophene-3-carboxamide

C19H15ClN4O2S — CID 44554456

IUPAC5-(4-chlorophenyl)-2-[(6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl)amino]thiophene-3-carboxamide
SMILESCN1Cc2nc(Nc3sc(-c4ccc(Cl)cc4)cc3C(N)=O)ccc2C1=O
InChIInChI=1S/C19H15ClN4O2S/c1-24-9-14-12(19(24)26)6-7-16(22-14)23-18-13(17(21)25)8-15(27-18)10-2-4-11(20)5-3-10/h2-8H,9H2,1H3,(H2,21,25)(H,22,23)
InChIKeyVXCDLPIAGUPGOV-UHFFFAOYSA-N
MW398.88 g/mol
LogP3.89
Rot. Bonds4

About 5-(4-chlorophenyl)-2-[(6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl)amino]thiophene-3-carboxamide

5-(4-chlorophenyl)-2-[(6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl)amino]thiophene-3-carboxamide (PubChem CID 44554456) has the molecular formula C19H15ClN4O2S and a molecular weight of 398.88 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-[(6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-[(6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl)amino]thiophene-3-carboxamide
PubChem CID44554456
Molecular FormulaC19H15ClN4O2S
Molecular Weight398.88 g/mol
Exact Mass398.06
IUPAC Name5-(4-chlorophenyl)-2-[(6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl)amino]thiophene-3-carboxamide
SMILESCN1Cc2nc(Nc3sc(-c4ccc(Cl)cc4)cc3C(N)=O)ccc2C1=O
InChIInChI=1S/C19H15ClN4O2S/c1-24-9-14-12(19(24)26)6-7-16(22-14)23-18-13(17(21)25)8-15(27-18)10-2-4-11(20)5-3-10/h2-8H,9H2,1H3,(H2,21,25)(H,22,23)
InChIKeyVXCDLPIAGUPGOV-UHFFFAOYSA-N
XLogP3.89
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.88
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl)amino]thiophene-3-carboxamide
CID 44554286
5-(2,5-dichlorophenyl)-2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25127786
5-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25127784
5-phenyl-2-(pyridin-2-ylamino)thiophene-3-carboxamide
CID 25127137
5-[4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-methoxy-1,5-naphthyridin-2-yl)amino]thiophene-3-carboxamide
CID 44555128
2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(4-pyridin-4-ylphenyl)thiophene-3-carboxamide
CID 25124467
2-[[5-(2-hydroxypropan-2-yl)-6-methyl-2-pyridinyl]amino]-5-(6-morpholin-4-yl-3-pyridinyl)thiophene-3-carboxamide
CID 59525820
5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 59525739
5-(2-amino-5-chloro-6-methylpyrimidin-4-yl)-2-methyl-3H-isoindol-1-one
CID 155911428
2-[[6-[(4-acetylpiperazin-1-yl)methyl]-2-pyridinyl]amino]-5-[4-(1-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide
CID 25124145
2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-pyridin-1-ium-4-ylthiophene-3-carboxamide
CID 163556947
5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(hydroxymethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25123485

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-[(6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl)amino]thiophene-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-2-[(6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl)amino]thiophene-3-carboxamide (CID 44554456) is 5-(4-chlorophenyl)-2-[(6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-2-[(6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl)amino]thiophene-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-2-[(6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl)amino]thiophene-3-carboxamide is CN1Cc2nc(Nc3sc(-c4ccc(Cl)cc4)cc3C(N)=O)ccc2C1=O.
What is the InChIKey of 5-(4-chlorophenyl)-2-[(6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl)amino]thiophene-3-carboxamide?
The InChIKey is VXCDLPIAGUPGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2S/c1-24-9-14-12(19(24)26)6-7-16(22-14)23-18-13(17(21)25)8-15(27-18)10-2-4-11(20)5-3-10/h2-8H,9H2,1H3,(H2,21,25)(H,22,23).
What are the key properties of 5-(4-chlorophenyl)-2-[(6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl)amino]thiophene-3-carboxamide?
5-(4-chlorophenyl)-2-[(6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl)amino]thiophene-3-carboxamide has a molecular weight of 398.88 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-[(6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 44554456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).