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

C25H25N7O — CID 66605451

IUPAC2-(1-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESCN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4ccc5c(cnn5C)c4)nc23)CC1
InChIInChI=1S/C25H25N7O/c1-30-7-9-32(10-8-30)17-4-5-18-21(12-17)29-24-19(25(26)33)13-20(28-23(18)24)15-3-6-22-16(11-15)14-27-31(22)2/h3-6,11-14,29H,7-10H2,1-2H3,(H2,26,33)
InChIKeyABRGTELYFJVMOL-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.12
Rot. Bonds3

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

2-(1-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide (PubChem CID 66605451) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is 2-(1-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide.

Molecular Properties

Compound Name2-(1-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide
PubChem CID66605451
Molecular FormulaC25H25N7O
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC Name2-(1-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESCN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4ccc5c(cnn5C)c4)nc23)CC1
InChIInChI=1S/C25H25N7O/c1-30-7-9-32(10-8-30)17-4-5-18-21(12-17)29-24-19(25(26)33)13-20(28-23(18)24)15-3-6-22-16(11-15)14-27-31(22)2/h3-6,11-14,29H,7-10H2,1-2H3,(H2,26,33)
InChIKeyABRGTELYFJVMOL-UHFFFAOYSA-N
XLogP3.12
TPSA96.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The IUPAC name of 2-(1-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide (CID 66605451) is 2-(1-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide.
What is the SMILES notation for 2-(1-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The canonical SMILES for 2-(1-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide is CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4ccc5c(cnn5C)c4)nc23)CC1.
What is the InChIKey of 2-(1-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The InChIKey is ABRGTELYFJVMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O/c1-30-7-9-32(10-8-30)17-4-5-18-21(12-17)29-24-19(25(26)33)13-20(28-23(18)24)15-3-6-22-16(11-15)14-27-31(22)2/h3-6,11-14,29H,7-10H2,1-2H3,(H2,26,33).
What are the key properties of 2-(1-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide?
2-(1-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindazol-5-yl)-7-(4-methylpiperazin-1-yl)-5H-pyrido[3,2-b]indole-4-carboxamide is sourced from PubChem (CID 66605451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).