4-[1-(4-fluorobenzoyl)indol-4-yl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide

C34H28FN5O3 — CID 59375025

IUPAC4-[1-(4-fluorobenzoyl)indol-4-yl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
SMILESCN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)ccc(-c4cccc5c4ccn5C(=O)c4ccc(F)cc4)c23)CC1
InChIInChI=1S/C34H28FN5O3/c1-38-15-17-39(18-16-38)33(42)21-7-10-26-28(19-21)37-31-27(32(36)41)12-11-25(30(26)31)23-3-2-4-29-24(23)13-14-40(29)34(43)20-5-8-22(35)9-6-20/h2-14,19,37H,15-18H2,1H3,(H2,36,41)
InChIKeyQKVTUBZLQMRGQF-UHFFFAOYSA-N
MW573.63 g/mol
LogP5.26
Rot. Bonds4

About 4-[1-(4-fluorobenzoyl)indol-4-yl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide

4-[1-(4-fluorobenzoyl)indol-4-yl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide (PubChem CID 59375025) has the molecular formula C34H28FN5O3 and a molecular weight of 573.63 g/mol. Its IUPAC name is 4-[1-(4-fluorobenzoyl)indol-4-yl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name4-[1-(4-fluorobenzoyl)indol-4-yl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
PubChem CID59375025
Molecular FormulaC34H28FN5O3
Molecular Weight573.63 g/mol
Exact Mass573.22
IUPAC Name4-[1-(4-fluorobenzoyl)indol-4-yl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
SMILESCN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)ccc(-c4cccc5c4ccn5C(=O)c4ccc(F)cc4)c23)CC1
InChIInChI=1S/C34H28FN5O3/c1-38-15-17-39(18-16-38)33(42)21-7-10-26-28(19-21)37-31-27(32(36)41)12-11-25(30(26)31)23-3-2-4-29-24(23)13-14-40(29)34(43)20-5-8-22(35)9-6-20/h2-14,19,37H,15-18H2,1H3,(H2,36,41)
InChIKeyQKVTUBZLQMRGQF-UHFFFAOYSA-N
XLogP5.26
TPSA104.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.63
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorobenzoyl)indol-4-yl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The IUPAC name of 4-[1-(4-fluorobenzoyl)indol-4-yl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide (CID 59375025) is 4-[1-(4-fluorobenzoyl)indol-4-yl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 4-[1-(4-fluorobenzoyl)indol-4-yl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 4-[1-(4-fluorobenzoyl)indol-4-yl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide is CN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)ccc(-c4cccc5c4ccn5C(=O)c4ccc(F)cc4)c23)CC1.
What is the InChIKey of 4-[1-(4-fluorobenzoyl)indol-4-yl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The InChIKey is QKVTUBZLQMRGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28FN5O3/c1-38-15-17-39(18-16-38)33(42)21-7-10-26-28(19-21)37-31-27(32(36)41)12-11-25(30(26)31)23-3-2-4-29-24(23)13-14-40(29)34(43)20-5-8-22(35)9-6-20/h2-14,19,37H,15-18H2,1H3,(H2,36,41).
What are the key properties of 4-[1-(4-fluorobenzoyl)indol-4-yl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
4-[1-(4-fluorobenzoyl)indol-4-yl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide has a molecular weight of 573.63 g/mol, XLogP of 5.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorobenzoyl)indol-4-yl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 59375025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).