7-morpholin-4-yl-2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-5H-pyrido[3,2-b]indole-4-carboxamide

C25H27N5O3S — CID 66605033

IUPAC7-morpholin-4-yl-2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESNC(=O)c1cc(-c2ccc(CN3CCOCC3)s2)nc2c1[nH]c1cc(N3CCOCC3)ccc12
InChIInChI=1S/C25H27N5O3S/c26-25(31)19-14-21(22-4-2-17(34-22)15-29-5-9-32-10-6-29)28-23-18-3-1-16(13-20(18)27-24(19)23)30-7-11-33-12-8-30/h1-4,13-14,27H,5-12,15H2,(H2,26,31)
InChIKeyNLYRENYLPLXMMN-UHFFFAOYSA-N
MW477.59 g/mol
LogP3.21
Rot. Bonds5

About 7-morpholin-4-yl-2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-5H-pyrido[3,2-b]indole-4-carboxamide

7-morpholin-4-yl-2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-5H-pyrido[3,2-b]indole-4-carboxamide (PubChem CID 66605033) has the molecular formula C25H27N5O3S and a molecular weight of 477.59 g/mol. Its IUPAC name is 7-morpholin-4-yl-2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-5H-pyrido[3,2-b]indole-4-carboxamide.

Molecular Properties

Compound Name7-morpholin-4-yl-2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-5H-pyrido[3,2-b]indole-4-carboxamide
PubChem CID66605033
Molecular FormulaC25H27N5O3S
Molecular Weight477.59 g/mol
Exact Mass477.18
IUPAC Name7-morpholin-4-yl-2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESNC(=O)c1cc(-c2ccc(CN3CCOCC3)s2)nc2c1[nH]c1cc(N3CCOCC3)ccc12
InChIInChI=1S/C25H27N5O3S/c26-25(31)19-14-21(22-4-2-17(34-22)15-29-5-9-32-10-6-29)28-23-18-3-1-16(13-20(18)27-24(19)23)30-7-11-33-12-8-30/h1-4,13-14,27H,5-12,15H2,(H2,26,31)
InChIKeyNLYRENYLPLXMMN-UHFFFAOYSA-N
XLogP3.21
TPSA96.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-morpholin-4-yl-2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-5H-pyrido[3,2-b]indole-4-carboxamide?
The IUPAC name of 7-morpholin-4-yl-2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-5H-pyrido[3,2-b]indole-4-carboxamide (CID 66605033) is 7-morpholin-4-yl-2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-5H-pyrido[3,2-b]indole-4-carboxamide.
What is the SMILES notation for 7-morpholin-4-yl-2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-5H-pyrido[3,2-b]indole-4-carboxamide?
The canonical SMILES for 7-morpholin-4-yl-2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-5H-pyrido[3,2-b]indole-4-carboxamide is NC(=O)c1cc(-c2ccc(CN3CCOCC3)s2)nc2c1[nH]c1cc(N3CCOCC3)ccc12.
What is the InChIKey of 7-morpholin-4-yl-2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-5H-pyrido[3,2-b]indole-4-carboxamide?
The InChIKey is NLYRENYLPLXMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3S/c26-25(31)19-14-21(22-4-2-17(34-22)15-29-5-9-32-10-6-29)28-23-18-3-1-16(13-20(18)27-24(19)23)30-7-11-33-12-8-30/h1-4,13-14,27H,5-12,15H2,(H2,26,31).
What are the key properties of 7-morpholin-4-yl-2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-5H-pyrido[3,2-b]indole-4-carboxamide?
7-morpholin-4-yl-2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-5H-pyrido[3,2-b]indole-4-carboxamide has a molecular weight of 477.59 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-morpholin-4-yl-2-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-5H-pyrido[3,2-b]indole-4-carboxamide is sourced from PubChem (CID 66605033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).