7-(4-methylpiperazin-1-yl)-2-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-b]indole-4-carboxamide

C23H24N6O — CID 66605031

IUPAC7-(4-methylpiperazin-1-yl)-2-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESCc1ccc(-c2cc(C(N)=O)c3[nH]c4cc(N5CCN(C)CC5)ccc4c3n2)cn1
InChIInChI=1S/C23H24N6O/c1-14-3-4-15(13-25-14)19-12-18(23(24)30)22-21(26-19)17-6-5-16(11-20(17)27-22)29-9-7-28(2)8-10-29/h3-6,11-13,27H,7-10H2,1-2H3,(H2,24,30)
InChIKeyGWIRYEGHLHISRB-UHFFFAOYSA-N
MW400.49 g/mol
LogP2.94
Rot. Bonds3

About 7-(4-methylpiperazin-1-yl)-2-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-b]indole-4-carboxamide

7-(4-methylpiperazin-1-yl)-2-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-b]indole-4-carboxamide (PubChem CID 66605031) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 7-(4-methylpiperazin-1-yl)-2-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-b]indole-4-carboxamide.

Molecular Properties

Compound Name7-(4-methylpiperazin-1-yl)-2-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-b]indole-4-carboxamide
PubChem CID66605031
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name7-(4-methylpiperazin-1-yl)-2-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESCc1ccc(-c2cc(C(N)=O)c3[nH]c4cc(N5CCN(C)CC5)ccc4c3n2)cn1
InChIInChI=1S/C23H24N6O/c1-14-3-4-15(13-25-14)19-12-18(23(24)30)22-21(26-19)17-6-5-16(11-20(17)27-22)29-9-7-28(2)8-10-29/h3-6,11-13,27H,7-10H2,1-2H3,(H2,24,30)
InChIKeyGWIRYEGHLHISRB-UHFFFAOYSA-N
XLogP2.94
TPSA91.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylpiperazin-1-yl)-2-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The IUPAC name of 7-(4-methylpiperazin-1-yl)-2-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-b]indole-4-carboxamide (CID 66605031) is 7-(4-methylpiperazin-1-yl)-2-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-b]indole-4-carboxamide.
What is the SMILES notation for 7-(4-methylpiperazin-1-yl)-2-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The canonical SMILES for 7-(4-methylpiperazin-1-yl)-2-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-b]indole-4-carboxamide is Cc1ccc(-c2cc(C(N)=O)c3[nH]c4cc(N5CCN(C)CC5)ccc4c3n2)cn1.
What is the InChIKey of 7-(4-methylpiperazin-1-yl)-2-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The InChIKey is GWIRYEGHLHISRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-14-3-4-15(13-25-14)19-12-18(23(24)30)22-21(26-19)17-6-5-16(11-20(17)27-22)29-9-7-28(2)8-10-29/h3-6,11-13,27H,7-10H2,1-2H3,(H2,24,30).
What are the key properties of 7-(4-methylpiperazin-1-yl)-2-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
7-(4-methylpiperazin-1-yl)-2-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-b]indole-4-carboxamide has a molecular weight of 400.49 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylpiperazin-1-yl)-2-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-b]indole-4-carboxamide is sourced from PubChem (CID 66605031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).