7-[3-(diethylamino)prop-1-enyl]-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine

C26H27N3OS — CID 68678857

IUPAC7-[3-(diethylamino)prop-1-enyl]-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
SMILESCCN(CC)CC=Cc1cnc(N)c2c(-c3ccc(Oc4ccccc4)cc3)csc12
InChIInChI=1S/C26H27N3OS/c1-3-29(4-2)16-8-9-20-17-28-26(27)24-23(18-31-25(20)24)19-12-14-22(15-13-19)30-21-10-6-5-7-11-21/h5-15,17-18H,3-4,16H2,1-2H3,(H2,27,28)
InChIKeySKWADISRBPOYHQ-UHFFFAOYSA-N
MW429.59 g/mol
LogP6.69
Rot. Bonds8

About 7-[3-(diethylamino)prop-1-enyl]-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine

7-[3-(diethylamino)prop-1-enyl]-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine (PubChem CID 68678857) has the molecular formula C26H27N3OS and a molecular weight of 429.59 g/mol. Its IUPAC name is 7-[3-(diethylamino)prop-1-enyl]-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name7-[3-(diethylamino)prop-1-enyl]-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
PubChem CID68678857
Molecular FormulaC26H27N3OS
Molecular Weight429.59 g/mol
Exact Mass429.19
IUPAC Name7-[3-(diethylamino)prop-1-enyl]-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
SMILESCCN(CC)CC=Cc1cnc(N)c2c(-c3ccc(Oc4ccccc4)cc3)csc12
InChIInChI=1S/C26H27N3OS/c1-3-29(4-2)16-8-9-20-17-28-26(27)24-23(18-31-25(20)24)19-12-14-22(15-13-19)30-21-10-6-5-7-11-21/h5-15,17-18H,3-4,16H2,1-2H3,(H2,27,28)
InChIKeySKWADISRBPOYHQ-UHFFFAOYSA-N
XLogP6.69
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.59
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[3-(dimethylamino)prop-1-enyl]-3-phenylthieno[3,2-c]pyridin-4-amine
CID 141322409
(E)-3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enal
CID 18450607
3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enal
CID 73446371
2-[1-[3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enyl]piperidin-4-yl]ethanol
CID 68678654
7-[(E)-3-(diethylamino)prop-1-enyl]-3-[3-(1H-indol-4-yl)-2-methoxyphenyl]thieno[3,2-c]pyridin-4-amine
CID 150764877
N-[4-[4-amino-7-[3-(diethylamino)prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 68678250
3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]-N-[(3S)-pyrrolidin-3-yl]prop-2-enamide
CID 68680347
tert-butyl 3-[3-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enoylamino]pyrrolidine-1-carboxylate
CID 68679171
(E)-3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylprop-2-enamide
CID 18450643
N-[2-[4-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]pyrazol-1-yl]ethyl]prop-2-enamide
CID 122188517
(E)-3-[4-amino-3-(3-methoxyphenyl)thieno[3,2-c]pyridin-7-yl]prop-2-enenitrile
CID 141110438
3-(4-amino-3-phenylthieno[3,2-c]pyridin-7-yl)-N-methylpropanamide
CID 18450711

Frequently Asked Questions

What is the IUPAC name of 7-[3-(diethylamino)prop-1-enyl]-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine?
The IUPAC name of 7-[3-(diethylamino)prop-1-enyl]-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine (CID 68678857) is 7-[3-(diethylamino)prop-1-enyl]-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for 7-[3-(diethylamino)prop-1-enyl]-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for 7-[3-(diethylamino)prop-1-enyl]-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine is CCN(CC)CC=Cc1cnc(N)c2c(-c3ccc(Oc4ccccc4)cc3)csc12.
What is the InChIKey of 7-[3-(diethylamino)prop-1-enyl]-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine?
The InChIKey is SKWADISRBPOYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3OS/c1-3-29(4-2)16-8-9-20-17-28-26(27)24-23(18-31-25(20)24)19-12-14-22(15-13-19)30-21-10-6-5-7-11-21/h5-15,17-18H,3-4,16H2,1-2H3,(H2,27,28).
What are the key properties of 7-[3-(diethylamino)prop-1-enyl]-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine?
7-[3-(diethylamino)prop-1-enyl]-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine has a molecular weight of 429.59 g/mol, XLogP of 6.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(diethylamino)prop-1-enyl]-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 68678857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).