7-(4-tert-butylpiperazin-1-yl)-3-(1-methylindazol-5-yl)-9H-carbazole-1-carboxamide

C29H32N6O — CID 67419957

IUPAC7-(4-tert-butylpiperazin-1-yl)-3-(1-methylindazol-5-yl)-9H-carbazole-1-carboxamide
SMILESCn1ncc2cc(-c3cc(C(N)=O)c4[nH]c5cc(N6CCN(C(C)(C)C)CC6)ccc5c4c3)ccc21
InChIInChI=1S/C29H32N6O/c1-29(2,3)35-11-9-34(10-12-35)21-6-7-22-23-14-19(15-24(28(30)36)27(23)32-25(22)16-21)18-5-8-26-20(13-18)17-31-33(26)4/h5-8,13-17,32H,9-12H2,1-4H3,(H2,30,36)
InChIKeyFZEYPOGHLOFEPY-UHFFFAOYSA-N
MW480.62 g/mol
LogP4.89
Rot. Bonds3

About 7-(4-tert-butylpiperazin-1-yl)-3-(1-methylindazol-5-yl)-9H-carbazole-1-carboxamide

7-(4-tert-butylpiperazin-1-yl)-3-(1-methylindazol-5-yl)-9H-carbazole-1-carboxamide (PubChem CID 67419957) has the molecular formula C29H32N6O and a molecular weight of 480.62 g/mol. Its IUPAC name is 7-(4-tert-butylpiperazin-1-yl)-3-(1-methylindazol-5-yl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name7-(4-tert-butylpiperazin-1-yl)-3-(1-methylindazol-5-yl)-9H-carbazole-1-carboxamide
PubChem CID67419957
Molecular FormulaC29H32N6O
Molecular Weight480.62 g/mol
Exact Mass480.26
IUPAC Name7-(4-tert-butylpiperazin-1-yl)-3-(1-methylindazol-5-yl)-9H-carbazole-1-carboxamide
SMILESCn1ncc2cc(-c3cc(C(N)=O)c4[nH]c5cc(N6CCN(C(C)(C)C)CC6)ccc5c4c3)ccc21
InChIInChI=1S/C29H32N6O/c1-29(2,3)35-11-9-34(10-12-35)21-6-7-22-23-14-19(15-24(28(30)36)27(23)32-25(22)16-21)18-5-8-26-20(13-18)17-31-33(26)4/h5-8,13-17,32H,9-12H2,1-4H3,(H2,30,36)
InChIKeyFZEYPOGHLOFEPY-UHFFFAOYSA-N
XLogP4.89
TPSA83.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.62
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butylpiperazin-1-yl)-3-(1-methylindazol-5-yl)-9H-carbazole-1-carboxamide?
The IUPAC name of 7-(4-tert-butylpiperazin-1-yl)-3-(1-methylindazol-5-yl)-9H-carbazole-1-carboxamide (CID 67419957) is 7-(4-tert-butylpiperazin-1-yl)-3-(1-methylindazol-5-yl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 7-(4-tert-butylpiperazin-1-yl)-3-(1-methylindazol-5-yl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 7-(4-tert-butylpiperazin-1-yl)-3-(1-methylindazol-5-yl)-9H-carbazole-1-carboxamide is Cn1ncc2cc(-c3cc(C(N)=O)c4[nH]c5cc(N6CCN(C(C)(C)C)CC6)ccc5c4c3)ccc21.
What is the InChIKey of 7-(4-tert-butylpiperazin-1-yl)-3-(1-methylindazol-5-yl)-9H-carbazole-1-carboxamide?
The InChIKey is FZEYPOGHLOFEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O/c1-29(2,3)35-11-9-34(10-12-35)21-6-7-22-23-14-19(15-24(28(30)36)27(23)32-25(22)16-21)18-5-8-26-20(13-18)17-31-33(26)4/h5-8,13-17,32H,9-12H2,1-4H3,(H2,30,36).
What are the key properties of 7-(4-tert-butylpiperazin-1-yl)-3-(1-methylindazol-5-yl)-9H-carbazole-1-carboxamide?
7-(4-tert-butylpiperazin-1-yl)-3-(1-methylindazol-5-yl)-9H-carbazole-1-carboxamide has a molecular weight of 480.62 g/mol, XLogP of 4.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-tert-butylpiperazin-1-yl)-3-(1-methylindazol-5-yl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 67419957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).