methane;N-[2-(4-methoxyphenyl)cyclopropyl]-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide

C25H28N4O2S — CID 161022486

IUPACmethane;N-[2-(4-methoxyphenyl)cyclopropyl]-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESC.COc1ccc(C2CC2NC(=O)c2sc3nc(C)cc(C)c3c2-c2cnn(C)c2)cc1
InChIInChI=1S/C24H24N4O2S.CH4/c1-13-9-14(2)26-24-20(13)21(16-11-25-28(3)12-16)22(31-24)23(29)27-19-10-18(19)15-5-7-17(30-4)8-6-15;/h5-9,11-12,18-19H,10H2,1-4H3,(H,27,29);1H4
InChIKeyTYOBQFQXLWJPHU-UHFFFAOYSA-N
MW448.59 g/mol
LogP5.24
Rot. Bonds5

About methane;N-[2-(4-methoxyphenyl)cyclopropyl]-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide

methane;N-[2-(4-methoxyphenyl)cyclopropyl]-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 161022486) has the molecular formula C25H28N4O2S and a molecular weight of 448.59 g/mol. Its IUPAC name is methane;N-[2-(4-methoxyphenyl)cyclopropyl]-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Namemethane;N-[2-(4-methoxyphenyl)cyclopropyl]-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID161022486
Molecular FormulaC25H28N4O2S
Molecular Weight448.59 g/mol
Exact Mass448.19
IUPAC Namemethane;N-[2-(4-methoxyphenyl)cyclopropyl]-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESC.COc1ccc(C2CC2NC(=O)c2sc3nc(C)cc(C)c3c2-c2cnn(C)c2)cc1
InChIInChI=1S/C24H24N4O2S.CH4/c1-13-9-14(2)26-24-20(13)21(16-11-25-28(3)12-16)22(31-24)23(29)27-19-10-18(19)15-5-7-17(30-4)8-6-15;/h5-9,11-12,18-19H,10H2,1-4H3,(H,27,29);1H4
InChIKeyTYOBQFQXLWJPHU-UHFFFAOYSA-N
XLogP5.24
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.59
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-dimethyl-3-(1-methylpyrazol-4-yl)-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 123338732
N-[(4-methoxy-3-methylphenyl)methyl]-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 121479859
N-(2-adamantyl)-5-chloro-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 121472182
N-ethyl-4,6-dimethyl-3-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 121479838
3-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 72713422
3-amino-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 865531
[2-(4-methoxyphenyl)-2-oxoethyl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 17436057
(3R,4S)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120925289
3-amino-4,6-dimethyl-N-(4-propan-2-yloxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1187975
4-(4-methoxyphenyl)-1-methylpyrazole
CID 4101323
methyl 4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxylate
CID 78916354
(4,6-dimethyl-3-phenylthieno[2,3-b]pyridine-2-carbonyl)azanide;rubidium(1+)
CID 144797022

Frequently Asked Questions

What is the IUPAC name of methane;N-[2-(4-methoxyphenyl)cyclopropyl]-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of methane;N-[2-(4-methoxyphenyl)cyclopropyl]-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 161022486) is methane;N-[2-(4-methoxyphenyl)cyclopropyl]-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for methane;N-[2-(4-methoxyphenyl)cyclopropyl]-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for methane;N-[2-(4-methoxyphenyl)cyclopropyl]-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide is C.COc1ccc(C2CC2NC(=O)c2sc3nc(C)cc(C)c3c2-c2cnn(C)c2)cc1.
What is the InChIKey of methane;N-[2-(4-methoxyphenyl)cyclopropyl]-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is TYOBQFQXLWJPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S.CH4/c1-13-9-14(2)26-24-20(13)21(16-11-25-28(3)12-16)22(31-24)23(29)27-19-10-18(19)15-5-7-17(30-4)8-6-15;/h5-9,11-12,18-19H,10H2,1-4H3,(H,27,29);1H4.
What are the key properties of methane;N-[2-(4-methoxyphenyl)cyclopropyl]-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide?
methane;N-[2-(4-methoxyphenyl)cyclopropyl]-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 448.59 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-[2-(4-methoxyphenyl)cyclopropyl]-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 161022486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).