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

C25H28N6O2 — CID 66605821

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC7-[4-(2-methoxyethyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESCOCCN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4ccc(C)nc4)nc23)CC1
InChIInChI=1S/C25H28N6O2/c1-16-3-4-17(15-27-16)21-14-20(25(26)32)24-23(28-21)19-6-5-18(13-22(19)29-24)31-9-7-30(8-10-31)11-12-33-2/h3-6,13-15,29H,7-12H2,1-2H3,(H2,26,32)
InChIKeyRNTLDCQIWVNQHY-UHFFFAOYSA-N
MW444.54 g/mol
LogP2.95
Rot. Bonds6

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

7-[4-(2-methoxyethyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-b]indole-4-carboxamide (PubChem CID 66605821) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 7-[4-(2-methoxyethyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-b]indole-4-carboxamide.

Molecular Properties

Compound Name7-[4-(2-methoxyethyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-b]indole-4-carboxamide
PubChem CID66605821
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name7-[4-(2-methoxyethyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESCOCCN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4ccc(C)nc4)nc23)CC1
InChIInChI=1S/C25H28N6O2/c1-16-3-4-17(15-27-16)21-14-20(25(26)32)24-23(28-21)19-6-5-18(13-22(19)29-24)31-9-7-30(8-10-31)11-12-33-2/h3-6,13-15,29H,7-12H2,1-2H3,(H2,26,32)
InChIKeyRNTLDCQIWVNQHY-UHFFFAOYSA-N
XLogP2.95
TPSA100.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-methoxyethyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The IUPAC name of 7-[4-(2-methoxyethyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-b]indole-4-carboxamide (CID 66605821) is 7-[4-(2-methoxyethyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-b]indole-4-carboxamide.
What is the SMILES notation for 7-[4-(2-methoxyethyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The canonical SMILES for 7-[4-(2-methoxyethyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-b]indole-4-carboxamide is COCCN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4ccc(C)nc4)nc23)CC1.
What is the InChIKey of 7-[4-(2-methoxyethyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The InChIKey is RNTLDCQIWVNQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-16-3-4-17(15-27-16)21-14-20(25(26)32)24-23(28-21)19-6-5-18(13-22(19)29-24)31-9-7-30(8-10-31)11-12-33-2/h3-6,13-15,29H,7-12H2,1-2H3,(H2,26,32).
What are the key properties of 7-[4-(2-methoxyethyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
7-[4-(2-methoxyethyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-b]indole-4-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-methoxyethyl)piperazin-1-yl]-2-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-b]indole-4-carboxamide is sourced from PubChem (CID 66605821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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