7-(morpholine-4-carbonyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide

C26H32N6O4 — CID 66605087

IUPAC7-(morpholine-4-carbonyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESNC(=O)c1cc(N2CCC(N3CCOCC3)CC2)nc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C26H32N6O4/c27-25(33)20-16-22(31-5-3-18(4-6-31)30-7-11-35-12-8-30)29-23-19-2-1-17(15-21(19)28-24(20)23)26(34)32-9-13-36-14-10-32/h1-2,15-16,18,28H,3-14H2,(H2,27,33)
InChIKeyRSNWZSIJEDOSSA-UHFFFAOYSA-N
MW492.58 g/mol
LogP1.59
Rot. Bonds4

About 7-(morpholine-4-carbonyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide

7-(morpholine-4-carbonyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide (PubChem CID 66605087) has the molecular formula C26H32N6O4 and a molecular weight of 492.58 g/mol. Its IUPAC name is 7-(morpholine-4-carbonyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide.

Molecular Properties

Compound Name7-(morpholine-4-carbonyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide
PubChem CID66605087
Molecular FormulaC26H32N6O4
Molecular Weight492.58 g/mol
Exact Mass492.25
IUPAC Name7-(morpholine-4-carbonyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESNC(=O)c1cc(N2CCC(N3CCOCC3)CC2)nc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C26H32N6O4/c27-25(33)20-16-22(31-5-3-18(4-6-31)30-7-11-35-12-8-30)29-23-19-2-1-17(15-21(19)28-24(20)23)26(34)32-9-13-36-14-10-32/h1-2,15-16,18,28H,3-14H2,(H2,27,33)
InChIKeyRSNWZSIJEDOSSA-UHFFFAOYSA-N
XLogP1.59
TPSA117.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(morpholine-4-carbonyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The IUPAC name of 7-(morpholine-4-carbonyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide (CID 66605087) is 7-(morpholine-4-carbonyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide.
What is the SMILES notation for 7-(morpholine-4-carbonyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The canonical SMILES for 7-(morpholine-4-carbonyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide is NC(=O)c1cc(N2CCC(N3CCOCC3)CC2)nc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12.
What is the InChIKey of 7-(morpholine-4-carbonyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The InChIKey is RSNWZSIJEDOSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O4/c27-25(33)20-16-22(31-5-3-18(4-6-31)30-7-11-35-12-8-30)29-23-19-2-1-17(15-21(19)28-24(20)23)26(34)32-9-13-36-14-10-32/h1-2,15-16,18,28H,3-14H2,(H2,27,33).
What are the key properties of 7-(morpholine-4-carbonyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide?
7-(morpholine-4-carbonyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(morpholine-4-carbonyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide is sourced from PubChem (CID 66605087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).