N-(1H-indol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-b]pyridin-7-amine

C27H26N4O2S — CID 18383087

IUPACN-(1H-indol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-b]pyridin-7-amine
SMILESc1cc(Nc2ccc3[nH]ccc3c2)c2sc(-c3ccc(OCCN4CCOCC4)cc3)cc2n1
InChIInChI=1S/C27H26N4O2S/c1-4-22(33-16-13-31-11-14-32-15-12-31)5-2-19(1)26-18-25-27(34-26)24(8-10-29-25)30-21-3-6-23-20(17-21)7-9-28-23/h1-10,17-18,28H,11-16H2,(H,29,30)
InChIKeySEDJHDRQDFAQHZ-UHFFFAOYSA-N
MW470.60 g/mol
LogP5.90
Rot. Bonds7

About N-(1H-indol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-b]pyridin-7-amine

N-(1H-indol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-b]pyridin-7-amine (PubChem CID 18383087) has the molecular formula C27H26N4O2S and a molecular weight of 470.60 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-b]pyridin-7-amine.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-b]pyridin-7-amine
PubChem CID18383087
Molecular FormulaC27H26N4O2S
Molecular Weight470.60 g/mol
Exact Mass470.18
IUPAC NameN-(1H-indol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-b]pyridin-7-amine
SMILESc1cc(Nc2ccc3[nH]ccc3c2)c2sc(-c3ccc(OCCN4CCOCC4)cc3)cc2n1
InChIInChI=1S/C27H26N4O2S/c1-4-22(33-16-13-31-11-14-32-15-12-31)5-2-19(1)26-18-25-27(34-26)24(8-10-29-25)30-21-3-6-23-20(17-21)7-9-28-23/h1-10,17-18,28H,11-16H2,(H,29,30)
InChIKeySEDJHDRQDFAQHZ-UHFFFAOYSA-N
XLogP5.90
TPSA62.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.60
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1H-indol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-b]pyridin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-b]pyridin-7-amine?
The IUPAC name of N-(1H-indol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-b]pyridin-7-amine (CID 18383087) is N-(1H-indol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-b]pyridin-7-amine.
What is the SMILES notation for N-(1H-indol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-b]pyridin-7-amine?
The canonical SMILES for N-(1H-indol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-b]pyridin-7-amine is c1cc(Nc2ccc3[nH]ccc3c2)c2sc(-c3ccc(OCCN4CCOCC4)cc3)cc2n1.
What is the InChIKey of N-(1H-indol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-b]pyridin-7-amine?
The InChIKey is SEDJHDRQDFAQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2S/c1-4-22(33-16-13-31-11-14-32-15-12-31)5-2-19(1)26-18-25-27(34-26)24(8-10-29-25)30-21-3-6-23-20(17-21)7-9-28-23/h1-10,17-18,28H,11-16H2,(H,29,30).
What are the key properties of N-(1H-indol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-b]pyridin-7-amine?
N-(1H-indol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-b]pyridin-7-amine has a molecular weight of 470.60 g/mol, XLogP of 5.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 18383087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).