[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone

C18H16Cl2N2OS — CID 23802491

IUPAC[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone
SMILESCC(C)Cc1ccc2c(N)c(C(=O)c3ccc(Cl)cc3Cl)sc2n1
InChIInChI=1S/C18H16Cl2N2OS/c1-9(2)7-11-4-6-13-15(21)17(24-18(13)22-11)16(23)12-5-3-10(19)8-14(12)20/h3-6,8-9H,7,21H2,1-2H3
InChIKeyLPKFAUSFVLXWPN-UHFFFAOYSA-N
MW379.31 g/mol
LogP5.61
Rot. Bonds4

About [3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone

[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone (PubChem CID 23802491) has the molecular formula C18H16Cl2N2OS and a molecular weight of 379.31 g/mol. Its IUPAC name is [3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone
PubChem CID23802491
Molecular FormulaC18H16Cl2N2OS
Molecular Weight379.31 g/mol
Exact Mass378.04
IUPAC Name[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone
SMILESCC(C)Cc1ccc2c(N)c(C(=O)c3ccc(Cl)cc3Cl)sc2n1
InChIInChI=1S/C18H16Cl2N2OS/c1-9(2)7-11-4-6-13-15(21)17(24-18(13)22-11)16(23)12-5-3-10(19)8-14(12)20/h3-6,8-9H,7,21H2,1-2H3
InChIKeyLPKFAUSFVLXWPN-UHFFFAOYSA-N
XLogP5.61
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.31
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridin-2-yl]-(3-nitrophenyl)methanone
CID 23887470
[3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone
CID 1001525
3-amino-N-(4-benzoylphenyl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23832664
3-amino-6-(2-methylpropyl)-N-(2-methylquinolin-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 23942272
ethyl 3-amino-2-(2,4-dichlorobenzoyl)-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate
CID 5074224
3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23997986
[4-[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 23915434
[3-amino-6-(4-methoxyphenyl)-4-(4-methylphenyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone
CID 23773333
1-[4-[4-[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 87048518
2-chloro-6-(2-methylpropyl)pyridine-3-carboxamide
CID 13240387
[3-amino-6-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone
CID 23943421
[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone
CID 4251194

Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone?
The IUPAC name of [3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone (CID 23802491) is [3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone.
What is the SMILES notation for [3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone?
The canonical SMILES for [3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone is CC(C)Cc1ccc2c(N)c(C(=O)c3ccc(Cl)cc3Cl)sc2n1.
What is the InChIKey of [3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone?
The InChIKey is LPKFAUSFVLXWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2OS/c1-9(2)7-11-4-6-13-15(21)17(24-18(13)22-11)16(23)12-5-3-10(19)8-14(12)20/h3-6,8-9H,7,21H2,1-2H3.
What are the key properties of [3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone?
[3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone has a molecular weight of 379.31 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(2-methylpropyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone is sourced from PubChem (CID 23802491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).