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

C26H24N4OS — CID 18382861

IUPACN-(1H-indol-5-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-b]pyridin-7-amine
SMILESc1cc(Nc2ccc3[nH]ccc3c2)c2sc(-c3ccc(CN4CCOCC4)cc3)cc2n1
InChIInChI=1S/C26H24N4OS/c1-3-19(4-2-18(1)17-30-11-13-31-14-12-30)25-16-24-26(32-25)23(8-10-28-24)29-21-5-6-22-20(15-21)7-9-27-22/h1-10,15-16,27H,11-14,17H2,(H,28,29)
InChIKeyJCKSFAJUCQVQOF-UHFFFAOYSA-N
MW440.57 g/mol
LogP6.02
Rot. Bonds5

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

N-(1H-indol-5-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-b]pyridin-7-amine (PubChem CID 18382861) has the molecular formula C26H24N4OS and a molecular weight of 440.57 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-b]pyridin-7-amine.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-b]pyridin-7-amine
PubChem CID18382861
Molecular FormulaC26H24N4OS
Molecular Weight440.57 g/mol
Exact Mass440.17
IUPAC NameN-(1H-indol-5-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-b]pyridin-7-amine
SMILESc1cc(Nc2ccc3[nH]ccc3c2)c2sc(-c3ccc(CN4CCOCC4)cc3)cc2n1
InChIInChI=1S/C26H24N4OS/c1-3-19(4-2-18(1)17-30-11-13-31-14-12-30)25-16-24-26(32-25)23(8-10-28-24)29-21-5-6-22-20(15-21)7-9-27-22/h1-10,15-16,27H,11-14,17H2,(H,28,29)
InChIKeyJCKSFAJUCQVQOF-UHFFFAOYSA-N
XLogP6.02
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.57
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-b]pyridin-7-amine?
The IUPAC name of N-(1H-indol-5-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-b]pyridin-7-amine (CID 18382861) is N-(1H-indol-5-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-b]pyridin-7-amine.
What is the SMILES notation for N-(1H-indol-5-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-b]pyridin-7-amine?
The canonical SMILES for N-(1H-indol-5-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-b]pyridin-7-amine is c1cc(Nc2ccc3[nH]ccc3c2)c2sc(-c3ccc(CN4CCOCC4)cc3)cc2n1.
What is the InChIKey of N-(1H-indol-5-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-b]pyridin-7-amine?
The InChIKey is JCKSFAJUCQVQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4OS/c1-3-19(4-2-18(1)17-30-11-13-31-14-12-30)25-16-24-26(32-25)23(8-10-28-24)29-21-5-6-22-20(15-21)7-9-27-22/h1-10,15-16,27H,11-14,17H2,(H,28,29).
What are the key properties of N-(1H-indol-5-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-b]pyridin-7-amine?
N-(1H-indol-5-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-b]pyridin-7-amine has a molecular weight of 440.57 g/mol, XLogP of 6.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]thieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 18382861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).