1-[2-(dimethylamino)-5-[4-[2-(methylamino)ethoxy]phenyl]thieno[3,2-b]pyridin-7-yl]-N,N-dimethylpyrrolidine-3-carboxamide;molecular hydrogen

C25H35N5O2S — CID 177172767

IUPAC1-[2-(dimethylamino)-5-[4-[2-(methylamino)ethoxy]phenyl]thieno[3,2-b]pyridin-7-yl]-N,N-dimethylpyrrolidine-3-carboxamide;molecular hydrogen
SMILESCNCCOc1ccc(-c2cc(N3CCC(C(=O)N(C)C)C3)c3sc(N(C)C)cc3n2)cc1.[H][H]
InChIInChI=1S/C25H33N5O2S.H2/c1-26-11-13-32-19-8-6-17(7-9-19)20-14-22(24-21(27-20)15-23(33-24)28(2)3)30-12-10-18(16-30)25(31)29(4)5;/h6-9,14-15,18,26H,10-13,16H2,1-5H3;1H
InChIKeyIDOZBSBLCFETQT-UHFFFAOYSA-N
MW469.66 g/mol
LogP3.79
Rot. Bonds8

About 1-[2-(dimethylamino)-5-[4-[2-(methylamino)ethoxy]phenyl]thieno[3,2-b]pyridin-7-yl]-N,N-dimethylpyrrolidine-3-carboxamide;molecular hydrogen

1-[2-(dimethylamino)-5-[4-[2-(methylamino)ethoxy]phenyl]thieno[3,2-b]pyridin-7-yl]-N,N-dimethylpyrrolidine-3-carboxamide;molecular hydrogen (PubChem CID 177172767) has the molecular formula C25H35N5O2S and a molecular weight of 469.66 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-5-[4-[2-(methylamino)ethoxy]phenyl]thieno[3,2-b]pyridin-7-yl]-N,N-dimethylpyrrolidine-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name1-[2-(dimethylamino)-5-[4-[2-(methylamino)ethoxy]phenyl]thieno[3,2-b]pyridin-7-yl]-N,N-dimethylpyrrolidine-3-carboxamide;molecular hydrogen
PubChem CID177172767
Molecular FormulaC25H35N5O2S
Molecular Weight469.66 g/mol
Exact Mass469.25
IUPAC Name1-[2-(dimethylamino)-5-[4-[2-(methylamino)ethoxy]phenyl]thieno[3,2-b]pyridin-7-yl]-N,N-dimethylpyrrolidine-3-carboxamide;molecular hydrogen
SMILESCNCCOc1ccc(-c2cc(N3CCC(C(=O)N(C)C)C3)c3sc(N(C)C)cc3n2)cc1.[H][H]
InChIInChI=1S/C25H33N5O2S.H2/c1-26-11-13-32-19-8-6-17(7-9-19)20-14-22(24-21(27-20)15-23(33-24)28(2)3)30-12-10-18(16-30)25(31)29(4)5;/h6-9,14-15,18,26H,10-13,16H2,1-5H3;1H
InChIKeyIDOZBSBLCFETQT-UHFFFAOYSA-N
XLogP3.79
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.66
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[1-[2-methoxy-5-[4-[2-(methylamino)ethoxy]phenyl]thieno[3,2-b]pyridin-7-yl]pyrrolidin-3-yl]methanol
CID 177173042
N-cyclopropyl-1-[7-methoxy-2-[4-[2-(methylamino)ethoxy]phenyl]quinolin-4-yl]pyrrolidine-3-carboxamide
CID 177174261
(3S)-N-ethyl-1-[7-methoxy-2-[4-[2-(methylamino)ethoxy]phenyl]quinolin-4-yl]pyrrolidine-3-carboxamide
CID 177173980
[1-[7-methoxy-2-[4-[2-(methylamino)ethoxy]phenyl]quinolin-4-yl]pyrrolidin-3-yl] N-methylcarbamate
CID 177173899
tert-butyl N-[2-[4-[7-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methoxythieno[3,2-b]pyridin-5-yl]phenoxy]ethyl]-N-methylcarbamate
CID 177172770
2-[1-[7-methoxy-2-[4-[2-(methylamino)ethoxy]phenyl]quinolin-4-yl]pyrrolidin-3-yl]ethanamine
CID 177173642
1-[7-methoxy-2-[4-[2-(methylamino)propoxy]phenyl]quinolin-4-yl]-N-methylpyrrolidine-3-carboxamide
CID 177173211
2-[4-[4-[(3aR,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-7-(dimethylamino)quinolin-2-yl]phenoxy]ethyl N-methylcarbamate
CID 177173621
2-[4-[4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-6-fluoro-7-methoxyquinolin-2-yl]phenoxy]-N-methylethanamine;ethane;molecular hydrogen
CID 177173416
1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 171705298
2-[4-[4-(1,1-dioxo-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-e]thiazin-6-yl)-7-methoxyquinolin-2-yl]phenoxy]-N-methylethanamine
CID 177173813
2-[7-methoxy-2-[4-[3-(methylamino)propoxy]phenyl]quinolin-4-yl]-3,3a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-4-one
CID 177173741

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-5-[4-[2-(methylamino)ethoxy]phenyl]thieno[3,2-b]pyridin-7-yl]-N,N-dimethylpyrrolidine-3-carboxamide;molecular hydrogen?
The IUPAC name of 1-[2-(dimethylamino)-5-[4-[2-(methylamino)ethoxy]phenyl]thieno[3,2-b]pyridin-7-yl]-N,N-dimethylpyrrolidine-3-carboxamide;molecular hydrogen (CID 177172767) is 1-[2-(dimethylamino)-5-[4-[2-(methylamino)ethoxy]phenyl]thieno[3,2-b]pyridin-7-yl]-N,N-dimethylpyrrolidine-3-carboxamide;molecular hydrogen.
What is the SMILES notation for 1-[2-(dimethylamino)-5-[4-[2-(methylamino)ethoxy]phenyl]thieno[3,2-b]pyridin-7-yl]-N,N-dimethylpyrrolidine-3-carboxamide;molecular hydrogen?
The canonical SMILES for 1-[2-(dimethylamino)-5-[4-[2-(methylamino)ethoxy]phenyl]thieno[3,2-b]pyridin-7-yl]-N,N-dimethylpyrrolidine-3-carboxamide;molecular hydrogen is CNCCOc1ccc(-c2cc(N3CCC(C(=O)N(C)C)C3)c3sc(N(C)C)cc3n2)cc1.[H][H].
What is the InChIKey of 1-[2-(dimethylamino)-5-[4-[2-(methylamino)ethoxy]phenyl]thieno[3,2-b]pyridin-7-yl]-N,N-dimethylpyrrolidine-3-carboxamide;molecular hydrogen?
The InChIKey is IDOZBSBLCFETQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2S.H2/c1-26-11-13-32-19-8-6-17(7-9-19)20-14-22(24-21(27-20)15-23(33-24)28(2)3)30-12-10-18(16-30)25(31)29(4)5;/h6-9,14-15,18,26H,10-13,16H2,1-5H3;1H.
What are the key properties of 1-[2-(dimethylamino)-5-[4-[2-(methylamino)ethoxy]phenyl]thieno[3,2-b]pyridin-7-yl]-N,N-dimethylpyrrolidine-3-carboxamide;molecular hydrogen?
1-[2-(dimethylamino)-5-[4-[2-(methylamino)ethoxy]phenyl]thieno[3,2-b]pyridin-7-yl]-N,N-dimethylpyrrolidine-3-carboxamide;molecular hydrogen has a molecular weight of 469.66 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-5-[4-[2-(methylamino)ethoxy]phenyl]thieno[3,2-b]pyridin-7-yl]-N,N-dimethylpyrrolidine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 177172767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).