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

C27H26N4OS — CID 10434122

IUPACN-(2-methyl-1H-indol-5-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-b]pyridin-7-amine
SMILESCc1cc2cc(Nc3ccnc4cc(-c5ccc(CN6CCOCC6)cc5)sc34)ccc2[nH]1
InChIInChI=1S/C27H26N4OS/c1-18-14-21-15-22(6-7-23(21)29-18)30-24-8-9-28-25-16-26(33-27(24)25)20-4-2-19(3-5-20)17-31-10-12-32-13-11-31/h2-9,14-16,29H,10-13,17H2,1H3,(H,28,30)
InChIKeyNWVUSUJOHOVKNG-UHFFFAOYSA-N
MW454.60 g/mol
LogP6.33
Rot. Bonds5

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

N-(2-methyl-1H-indol-5-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-b]pyridin-7-amine (PubChem CID 10434122) has the molecular formula C27H26N4OS and a molecular weight of 454.60 g/mol. Its IUPAC name is N-(2-methyl-1H-indol-5-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-b]pyridin-7-amine.

Molecular Properties

Compound NameN-(2-methyl-1H-indol-5-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-b]pyridin-7-amine
PubChem CID10434122
Molecular FormulaC27H26N4OS
Molecular Weight454.60 g/mol
Exact Mass454.18
IUPAC NameN-(2-methyl-1H-indol-5-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-b]pyridin-7-amine
SMILESCc1cc2cc(Nc3ccnc4cc(-c5ccc(CN6CCOCC6)cc5)sc34)ccc2[nH]1
InChIInChI=1S/C27H26N4OS/c1-18-14-21-15-22(6-7-23(21)29-18)30-24-8-9-28-25-16-26(33-27(24)25)20-4-2-19(3-5-20)17-31-10-12-32-13-11-31/h2-9,14-16,29H,10-13,17H2,1H3,(H,28,30)
InChIKeyNWVUSUJOHOVKNG-UHFFFAOYSA-N
XLogP6.33
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.60
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1H-indol-5-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-b]pyridin-7-amine?
The IUPAC name of N-(2-methyl-1H-indol-5-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-b]pyridin-7-amine (CID 10434122) is N-(2-methyl-1H-indol-5-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-b]pyridin-7-amine.
What is the SMILES notation for N-(2-methyl-1H-indol-5-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-b]pyridin-7-amine?
The canonical SMILES for N-(2-methyl-1H-indol-5-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-b]pyridin-7-amine is Cc1cc2cc(Nc3ccnc4cc(-c5ccc(CN6CCOCC6)cc5)sc34)ccc2[nH]1.
What is the InChIKey of N-(2-methyl-1H-indol-5-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-b]pyridin-7-amine?
The InChIKey is NWVUSUJOHOVKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4OS/c1-18-14-21-15-22(6-7-23(21)29-18)30-24-8-9-28-25-16-26(33-27(24)25)20-4-2-19(3-5-20)17-31-10-12-32-13-11-31/h2-9,14-16,29H,10-13,17H2,1H3,(H,28,30).
What are the key properties of N-(2-methyl-1H-indol-5-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-b]pyridin-7-amine?
N-(2-methyl-1H-indol-5-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-b]pyridin-7-amine has a molecular weight of 454.60 g/mol, XLogP of 6.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1H-indol-5-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 10434122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).