7-[(E)-3-(diethylamino)prop-1-enyl]-3-[3-(1H-indol-4-yl)-2-methoxyphenyl]thieno[3,2-c]pyridin-4-amine

C29H30N4OS — CID 150764877

IUPAC7-[(E)-3-(diethylamino)prop-1-enyl]-3-[3-(1H-indol-4-yl)-2-methoxyphenyl]thieno[3,2-c]pyridin-4-amine
SMILESCCN(CC)C/C=C/c1cnc(N)c2c(-c3cccc(-c4cccc5[nH]ccc45)c3OC)csc12
InChIInChI=1S/C29H30N4OS/c1-4-33(5-2)16-8-9-19-17-32-29(30)26-24(18-35-28(19)26)23-12-6-11-22(27(23)34-3)20-10-7-13-25-21(20)14-15-31-25/h6-15,17-18,31H,4-5,16H2,1-3H3,(H2,30,32)/b9-8+
InChIKeyJYPJUMHBFYWPFV-CMDGGOBGSA-N
MW482.65 g/mol
LogP7.06
Rot. Bonds8

About 7-[(E)-3-(diethylamino)prop-1-enyl]-3-[3-(1H-indol-4-yl)-2-methoxyphenyl]thieno[3,2-c]pyridin-4-amine

7-[(E)-3-(diethylamino)prop-1-enyl]-3-[3-(1H-indol-4-yl)-2-methoxyphenyl]thieno[3,2-c]pyridin-4-amine (PubChem CID 150764877) has the molecular formula C29H30N4OS and a molecular weight of 482.65 g/mol. Its IUPAC name is 7-[(E)-3-(diethylamino)prop-1-enyl]-3-[3-(1H-indol-4-yl)-2-methoxyphenyl]thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name7-[(E)-3-(diethylamino)prop-1-enyl]-3-[3-(1H-indol-4-yl)-2-methoxyphenyl]thieno[3,2-c]pyridin-4-amine
PubChem CID150764877
Molecular FormulaC29H30N4OS
Molecular Weight482.65 g/mol
Exact Mass482.21
IUPAC Name7-[(E)-3-(diethylamino)prop-1-enyl]-3-[3-(1H-indol-4-yl)-2-methoxyphenyl]thieno[3,2-c]pyridin-4-amine
SMILESCCN(CC)C/C=C/c1cnc(N)c2c(-c3cccc(-c4cccc5[nH]ccc45)c3OC)csc12
InChIInChI=1S/C29H30N4OS/c1-4-33(5-2)16-8-9-19-17-32-29(30)26-24(18-35-28(19)26)23-12-6-11-22(27(23)34-3)20-10-7-13-25-21(20)14-15-31-25/h6-15,17-18,31H,4-5,16H2,1-3H3,(H2,30,32)/b9-8+
InChIKeyJYPJUMHBFYWPFV-CMDGGOBGSA-N
XLogP7.06
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.65
LogP ≤ 57.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(E)-3-(diethylamino)prop-1-enyl]-3-[3-(1H-indol-4-yl)-2-methoxyphenyl]thieno[3,2-c]pyridin-4-amine?
The IUPAC name of 7-[(E)-3-(diethylamino)prop-1-enyl]-3-[3-(1H-indol-4-yl)-2-methoxyphenyl]thieno[3,2-c]pyridin-4-amine (CID 150764877) is 7-[(E)-3-(diethylamino)prop-1-enyl]-3-[3-(1H-indol-4-yl)-2-methoxyphenyl]thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for 7-[(E)-3-(diethylamino)prop-1-enyl]-3-[3-(1H-indol-4-yl)-2-methoxyphenyl]thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for 7-[(E)-3-(diethylamino)prop-1-enyl]-3-[3-(1H-indol-4-yl)-2-methoxyphenyl]thieno[3,2-c]pyridin-4-amine is CCN(CC)C/C=C/c1cnc(N)c2c(-c3cccc(-c4cccc5[nH]ccc45)c3OC)csc12.
What is the InChIKey of 7-[(E)-3-(diethylamino)prop-1-enyl]-3-[3-(1H-indol-4-yl)-2-methoxyphenyl]thieno[3,2-c]pyridin-4-amine?
The InChIKey is JYPJUMHBFYWPFV-CMDGGOBGSA-N. The full InChI is InChI=1S/C29H30N4OS/c1-4-33(5-2)16-8-9-19-17-32-29(30)26-24(18-35-28(19)26)23-12-6-11-22(27(23)34-3)20-10-7-13-25-21(20)14-15-31-25/h6-15,17-18,31H,4-5,16H2,1-3H3,(H2,30,32)/b9-8+.
What are the key properties of 7-[(E)-3-(diethylamino)prop-1-enyl]-3-[3-(1H-indol-4-yl)-2-methoxyphenyl]thieno[3,2-c]pyridin-4-amine?
7-[(E)-3-(diethylamino)prop-1-enyl]-3-[3-(1H-indol-4-yl)-2-methoxyphenyl]thieno[3,2-c]pyridin-4-amine has a molecular weight of 482.65 g/mol, XLogP of 7.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-3-(diethylamino)prop-1-enyl]-3-[3-(1H-indol-4-yl)-2-methoxyphenyl]thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 150764877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).