3-amino-6-chloropyridine-2-carboxamide;6-chloro-2-thieno[2,3-c]pyridin-5-yl-3H-pyrido[3,2-d]pyrimidin-4-one;3-pyridin-4-ylpropan-1-ol;6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-pyrido[3,2-d]pyrimidin-4-one;thieno[2,3-c]pyridine-5-carboxylic acid

C58H46Cl2N14O7S3 — CID 164990274

IUPAC3-amino-6-chloropyridine-2-carboxamide;6-chloro-2-thieno[2,3-c]pyridin-5-yl-3H-pyrido[3,2-d]pyrimidin-4-one;3-pyridin-4-ylpropan-1-ol;6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-pyrido[3,2-d]pyrimidin-4-one;thieno[2,3-c]pyridine-5-carboxylic acid
SMILESNC(=O)c1nc(Cl)ccc1N.O=C(O)c1cc2ccsc2cn1.O=c1[nH]c(-c2cc3ccsc3cn2)nc2ccc(Cl)nc12.O=c1[nH]c(-c2cc3ccsc3cn2)nc2ccc(OCCCc3ccncc3)nc12.OCCCc1ccncc1
InChIInChI=1S/C22H17N5O2S.C14H7ClN4OS.C8H5NO2S.C8H11NO.C6H6ClN3O/c28-22-20-16(25-21(27-22)17-12-15-7-11-30-18(15)13-24-17)3-4-19(26-20)29-10-1-2-14-5-8-23-9-6-14;15-11-2-1-8-12(18-11)14(20)19-13(17-8)9-5-7-3-4-21-10(7)6-16-9;10-8(11)6-3-5-1-2-12-7(5)4-9-6;10-7-1-2-8-3-5-9-6-4-8;7-4-2-1-3(8)5(10-4)6(9)11/h3-9,11-13H,1-2,10H2,(H,25,27,28);1-6H,(H,17,19,20);1-4H,(H,10,11);3-6,10H,1-2,7H2;1-2H,8H2,(H2,9,11)
InChIKeyGTGCPXSSIMHVPS-UHFFFAOYSA-N
MW1218.20 g/mol
LogP10.67
Rot. Bonds12

About 3-amino-6-chloropyridine-2-carboxamide;6-chloro-2-thieno[2,3-c]pyridin-5-yl-3H-pyrido[3,2-d]pyrimidin-4-one;3-pyridin-4-ylpropan-1-ol;6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-pyrido[3,2-d]pyrimidin-4-one;thieno[2,3-c]pyridine-5-carboxylic acid

3-amino-6-chloropyridine-2-carboxamide;6-chloro-2-thieno[2,3-c]pyridin-5-yl-3H-pyrido[3,2-d]pyrimidin-4-one;3-pyridin-4-ylpropan-1-ol;6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-pyrido[3,2-d]pyrimidin-4-one;thieno[2,3-c]pyridine-5-carboxylic acid (PubChem CID 164990274) has the molecular formula C58H46Cl2N14O7S3 and a molecular weight of 1218.20 g/mol. Its IUPAC name is 3-amino-6-chloropyridine-2-carboxamide;6-chloro-2-thieno[2,3-c]pyridin-5-yl-3H-pyrido[3,2-d]pyrimidin-4-one;3-pyridin-4-ylpropan-1-ol;6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-pyrido[3,2-d]pyrimidin-4-one;thieno[2,3-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-chloropyridine-2-carboxamide;6-chloro-2-thieno[2,3-c]pyridin-5-yl-3H-pyrido[3,2-d]pyrimidin-4-one;3-pyridin-4-ylpropan-1-ol;6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-pyrido[3,2-d]pyrimidin-4-one;thieno[2,3-c]pyridine-5-carboxylic acid
PubChem CID164990274
Molecular FormulaC58H46Cl2N14O7S3
Molecular Weight1218.20 g/mol
Exact Mass1216.22
IUPAC Name3-amino-6-chloropyridine-2-carboxamide;6-chloro-2-thieno[2,3-c]pyridin-5-yl-3H-pyrido[3,2-d]pyrimidin-4-one;3-pyridin-4-ylpropan-1-ol;6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-pyrido[3,2-d]pyrimidin-4-one;thieno[2,3-c]pyridine-5-carboxylic acid
SMILESNC(=O)c1nc(Cl)ccc1N.O=C(O)c1cc2ccsc2cn1.O=c1[nH]c(-c2cc3ccsc3cn2)nc2ccc(Cl)nc12.O=c1[nH]c(-c2cc3ccsc3cn2)nc2ccc(OCCCc3ccncc3)nc12.OCCCc1ccncc1
InChIInChI=1S/C22H17N5O2S.C14H7ClN4OS.C8H5NO2S.C8H11NO.C6H6ClN3O/c28-22-20-16(25-21(27-22)17-12-15-7-11-30-18(15)13-24-17)3-4-19(26-20)29-10-1-2-14-5-8-23-9-6-14;15-11-2-1-8-12(18-11)14(20)19-13(17-8)9-5-7-3-4-21-10(7)6-16-9;10-8(11)6-3-5-1-2-12-7(5)4-9-6;10-7-1-2-8-3-5-9-6-4-8;7-4-2-1-3(8)5(10-4)6(9)11/h3-9,11-13H,1-2,10H2,(H,25,27,28);1-6H,(H,17,19,20);1-4H,(H,10,11);3-6,10H,1-2,7H2;1-2H,8H2,(H2,9,11)
InChIKeyGTGCPXSSIMHVPS-UHFFFAOYSA-N
XLogP10.67
TPSA330.49 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms84
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001218.20
LogP ≤ 510.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-amino-6-chloropyridine-2-carboxamide;6-chloro-2-thieno[2,3-c]pyridin-5-yl-3H-pyrido[3,2-d]pyrimidin-4-one;3-pyridin-4-ylpropan-1-ol;6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-pyrido[3,2-d]pyrimidin-4-one;thieno[2,3-c]pyridine-5-carboxylic acid with MolForge

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Related Compounds

2-(4-ethenyl-5-methylsulfanyl-2-pyridinyl)-6-(3-pyridin-4-ylpropoxy)-3H-pyrido[3,2-d]pyrimidin-4-one
CID 153396810
8-cyclopropyl-6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one
CID 146308993
6-bromo-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-4-one
CID 146308864
2-isoquinolin-3-yl-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one;hydrochloride
CID 164706550
2-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-6-(3-pyridin-4-ylpropoxy)-3H-quinazolin-4-one
CID 146308852
5-amino-6-(3-pyridin-4-ylpropoxy)pyridine-2-carboxamide
CID 114408728
6-hydroxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one
CID 146333407
tert-butyl 4-(4-oxo-2-thieno[2,3-c]pyridin-5-yl-3H-quinazolin-6-yl)piperidine-1-carboxylate
CID 146308956
6-(3-pyridin-4-ylpropoxy)-2-[5-(trifluoromethyl)-2-pyridinyl]-3H-quinazolin-4-one;hydrochloride
CID 146309113
2-amino-5-(3-pyridin-4-ylpropoxy)benzamide
CID 61306005
3-amino-4-(3-pyridin-4-ylpropoxy)benzoic acid
CID 60987478
[3-chloro-6-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanol
CID 61258005

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloropyridine-2-carboxamide;6-chloro-2-thieno[2,3-c]pyridin-5-yl-3H-pyrido[3,2-d]pyrimidin-4-one;3-pyridin-4-ylpropan-1-ol;6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-pyrido[3,2-d]pyrimidin-4-one;thieno[2,3-c]pyridine-5-carboxylic acid?
The IUPAC name of 3-amino-6-chloropyridine-2-carboxamide;6-chloro-2-thieno[2,3-c]pyridin-5-yl-3H-pyrido[3,2-d]pyrimidin-4-one;3-pyridin-4-ylpropan-1-ol;6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-pyrido[3,2-d]pyrimidin-4-one;thieno[2,3-c]pyridine-5-carboxylic acid (CID 164990274) is 3-amino-6-chloropyridine-2-carboxamide;6-chloro-2-thieno[2,3-c]pyridin-5-yl-3H-pyrido[3,2-d]pyrimidin-4-one;3-pyridin-4-ylpropan-1-ol;6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-pyrido[3,2-d]pyrimidin-4-one;thieno[2,3-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-amino-6-chloropyridine-2-carboxamide;6-chloro-2-thieno[2,3-c]pyridin-5-yl-3H-pyrido[3,2-d]pyrimidin-4-one;3-pyridin-4-ylpropan-1-ol;6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-pyrido[3,2-d]pyrimidin-4-one;thieno[2,3-c]pyridine-5-carboxylic acid?
The canonical SMILES for 3-amino-6-chloropyridine-2-carboxamide;6-chloro-2-thieno[2,3-c]pyridin-5-yl-3H-pyrido[3,2-d]pyrimidin-4-one;3-pyridin-4-ylpropan-1-ol;6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-pyrido[3,2-d]pyrimidin-4-one;thieno[2,3-c]pyridine-5-carboxylic acid is NC(=O)c1nc(Cl)ccc1N.O=C(O)c1cc2ccsc2cn1.O=c1[nH]c(-c2cc3ccsc3cn2)nc2ccc(Cl)nc12.O=c1[nH]c(-c2cc3ccsc3cn2)nc2ccc(OCCCc3ccncc3)nc12.OCCCc1ccncc1.
What is the InChIKey of 3-amino-6-chloropyridine-2-carboxamide;6-chloro-2-thieno[2,3-c]pyridin-5-yl-3H-pyrido[3,2-d]pyrimidin-4-one;3-pyridin-4-ylpropan-1-ol;6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-pyrido[3,2-d]pyrimidin-4-one;thieno[2,3-c]pyridine-5-carboxylic acid?
The InChIKey is GTGCPXSSIMHVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2S.C14H7ClN4OS.C8H5NO2S.C8H11NO.C6H6ClN3O/c28-22-20-16(25-21(27-22)17-12-15-7-11-30-18(15)13-24-17)3-4-19(26-20)29-10-1-2-14-5-8-23-9-6-14;15-11-2-1-8-12(18-11)14(20)19-13(17-8)9-5-7-3-4-21-10(7)6-16-9;10-8(11)6-3-5-1-2-12-7(5)4-9-6;10-7-1-2-8-3-5-9-6-4-8;7-4-2-1-3(8)5(10-4)6(9)11/h3-9,11-13H,1-2,10H2,(H,25,27,28);1-6H,(H,17,19,20);1-4H,(H,10,11);3-6,10H,1-2,7H2;1-2H,8H2,(H2,9,11).
What are the key properties of 3-amino-6-chloropyridine-2-carboxamide;6-chloro-2-thieno[2,3-c]pyridin-5-yl-3H-pyrido[3,2-d]pyrimidin-4-one;3-pyridin-4-ylpropan-1-ol;6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-pyrido[3,2-d]pyrimidin-4-one;thieno[2,3-c]pyridine-5-carboxylic acid?
3-amino-6-chloropyridine-2-carboxamide;6-chloro-2-thieno[2,3-c]pyridin-5-yl-3H-pyrido[3,2-d]pyrimidin-4-one;3-pyridin-4-ylpropan-1-ol;6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-pyrido[3,2-d]pyrimidin-4-one;thieno[2,3-c]pyridine-5-carboxylic acid has a molecular weight of 1218.20 g/mol, XLogP of 10.67, 12 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloropyridine-2-carboxamide;6-chloro-2-thieno[2,3-c]pyridin-5-yl-3H-pyrido[3,2-d]pyrimidin-4-one;3-pyridin-4-ylpropan-1-ol;6-(3-pyridin-4-ylpropoxy)-2-thieno[2,3-c]pyridin-5-yl-3H-pyrido[3,2-d]pyrimidin-4-one;thieno[2,3-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 164990274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).