3-amino-5-cyano-6-(3-imidazol-1-ylpropylamino)-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide

C19H17N7OS2 — CID 143064290

IUPAC3-amino-5-cyano-6-(3-imidazol-1-ylpropylamino)-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESN#Cc1c(NCCCn2ccnc2)nc2sc(C(N)=O)c(N)c2c1-c1cccs1
InChIInChI=1S/C19H17N7OS2/c20-9-11-13(12-3-1-8-28-12)14-15(21)16(17(22)27)29-19(14)25-18(11)24-4-2-6-26-7-5-23-10-26/h1,3,5,7-8,10H,2,4,6,21H2,(H2,22,27)(H,24,25)
InChIKeyIXBAPTSJEVMQLF-UHFFFAOYSA-N
MW423.53 g/mol
LogP3.28
Rot. Bonds7

About 3-amino-5-cyano-6-(3-imidazol-1-ylpropylamino)-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide

3-amino-5-cyano-6-(3-imidazol-1-ylpropylamino)-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 143064290) has the molecular formula C19H17N7OS2 and a molecular weight of 423.53 g/mol. Its IUPAC name is 3-amino-5-cyano-6-(3-imidazol-1-ylpropylamino)-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-cyano-6-(3-imidazol-1-ylpropylamino)-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID143064290
Molecular FormulaC19H17N7OS2
Molecular Weight423.53 g/mol
Exact Mass423.09
IUPAC Name3-amino-5-cyano-6-(3-imidazol-1-ylpropylamino)-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESN#Cc1c(NCCCn2ccnc2)nc2sc(C(N)=O)c(N)c2c1-c1cccs1
InChIInChI=1S/C19H17N7OS2/c20-9-11-13(12-3-1-8-28-12)14-15(21)16(17(22)27)29-19(14)25-18(11)24-4-2-6-26-7-5-23-10-26/h1,3,5,7-8,10H,2,4,6,21H2,(H2,22,27)(H,24,25)
InChIKeyIXBAPTSJEVMQLF-UHFFFAOYSA-N
XLogP3.28
TPSA135.64 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-cyano-6-(methylamino)-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 11290410
3-amino-6-[3-(1H-diazet-2-yl)propylamino]-2-formyl-4-thiophen-2-ylthieno[2,3-b]pyridine-5-carbonitrile
CID 143064286
3-amino-5-cyano-6-(3-methoxypropylamino)-4-(5-methylfuran-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 59486179
3-amino-4-(1-benzofuran-2-yl)-5-cyano-6-[2-(methylamino)ethylamino]thieno[2,3-b]pyridine-2-carboxamide
CID 59486162
5-acetyl-4-amino-2-(3-imidazol-1-ylpropylamino)thiophene-3-carbonitrile
CID 103426816
3-amino-5-(3-imidazol-1-ylpropylamino)thiophene-2-carboxamide
CID 103426808
6-amino-11-(pyridin-3-ylmethyl)-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide
CID 25205789
N-(3-imidazol-1-ylpropyl)thiophen-2-amine
CID 91018147
3,6-diamino-5-cyano-4-(1-methylpyrrol-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 11312976
3,6-diamino-5-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23970173
3-amino-6-[(1-amino-3-ethylsulfonylpropyl)amino]-4-(1-benzofuran-2-yl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide
CID 71133781
3,5-diamino-4-(1-benzofuran-2-yl)-6-(butylamino)thieno[2,3-b]pyridine-2-carboxamide
CID 71141586

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-cyano-6-(3-imidazol-1-ylpropylamino)-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-5-cyano-6-(3-imidazol-1-ylpropylamino)-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide (CID 143064290) is 3-amino-5-cyano-6-(3-imidazol-1-ylpropylamino)-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-5-cyano-6-(3-imidazol-1-ylpropylamino)-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-5-cyano-6-(3-imidazol-1-ylpropylamino)-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide is N#Cc1c(NCCCn2ccnc2)nc2sc(C(N)=O)c(N)c2c1-c1cccs1.
What is the InChIKey of 3-amino-5-cyano-6-(3-imidazol-1-ylpropylamino)-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is IXBAPTSJEVMQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7OS2/c20-9-11-13(12-3-1-8-28-12)14-15(21)16(17(22)27)29-19(14)25-18(11)24-4-2-6-26-7-5-23-10-26/h1,3,5,7-8,10H,2,4,6,21H2,(H2,22,27)(H,24,25).
What are the key properties of 3-amino-5-cyano-6-(3-imidazol-1-ylpropylamino)-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-5-cyano-6-(3-imidazol-1-ylpropylamino)-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 423.53 g/mol, XLogP of 3.28, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-cyano-6-(3-imidazol-1-ylpropylamino)-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 143064290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).