4-[2-fluoro-5-[[(4-fluorobenzoyl)amino]methyl]phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide

C33H29F2N5O3 — CID 141366346

IUPAC4-[2-fluoro-5-[[(4-fluorobenzoyl)amino]methyl]phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
SMILESCN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)ccc(-c4cc(CNC(=O)c5ccc(F)cc5)ccc4F)c23)CC1
InChIInChI=1S/C33H29F2N5O3/c1-39-12-14-40(15-13-39)33(43)21-5-8-24-28(17-21)38-30-25(31(36)41)10-9-23(29(24)30)26-16-19(2-11-27(26)35)18-37-32(42)20-3-6-22(34)7-4-20/h2-11,16-17,38H,12-15,18H2,1H3,(H2,36,41)(H,37,42)
InChIKeyHSRRXIVMHAVCDG-UHFFFAOYSA-N
MW581.62 g/mol
LogP4.68
Rot. Bonds6

About 4-[2-fluoro-5-[[(4-fluorobenzoyl)amino]methyl]phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide

4-[2-fluoro-5-[[(4-fluorobenzoyl)amino]methyl]phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide (PubChem CID 141366346) has the molecular formula C33H29F2N5O3 and a molecular weight of 581.62 g/mol. Its IUPAC name is 4-[2-fluoro-5-[[(4-fluorobenzoyl)amino]methyl]phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name4-[2-fluoro-5-[[(4-fluorobenzoyl)amino]methyl]phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
PubChem CID141366346
Molecular FormulaC33H29F2N5O3
Molecular Weight581.62 g/mol
Exact Mass581.22
IUPAC Name4-[2-fluoro-5-[[(4-fluorobenzoyl)amino]methyl]phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
SMILESCN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)ccc(-c4cc(CNC(=O)c5ccc(F)cc5)ccc4F)c23)CC1
InChIInChI=1S/C33H29F2N5O3/c1-39-12-14-40(15-13-39)33(43)21-5-8-24-28(17-21)38-30-25(31(36)41)10-9-23(29(24)30)26-16-19(2-11-27(26)35)18-37-32(42)20-3-6-22(34)7-4-20/h2-11,16-17,38H,12-15,18H2,1H3,(H2,36,41)(H,37,42)
InChIKeyHSRRXIVMHAVCDG-UHFFFAOYSA-N
XLogP4.68
TPSA111.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.62
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[2-fluoro-5-[[(4-fluorobenzoyl)amino]methyl]phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide with MolForge

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Related Compounds

4-[5-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 141366324
4-(2-fluoro-6-methoxyphenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 174635626
4-[2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 141366182
4-(4-tert-butylphenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 122191233
4-[3-[(4-fluorobenzoyl)amino]-2-methylphenyl]-7-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide
CID 141366033
4-amino-3-fluoro-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 145069415
4-[2-(aminomethyl)-3-(pyridine-4-carbonylamino)phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 174734487
4-[3-[(7-fluoroquinazolin-4-yl)amino]-2-methylphenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 141366138
4-[3-[(4-chlorophenyl)carbamoylamino]-2-methylphenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 141366129
4-[2-(aminomethyl)-3-[(4-fluorobenzoyl)amino]phenyl]-7-N-benzyl-9H-carbazole-1,7-dicarboxamide
CID 174734175
7-(4-methylpiperazine-1-carbonyl)-4-[2-methyl-3-[[2-(2H-tetrazol-5-yl)acetyl]amino]phenyl]-9H-carbazole-1-carboxamide
CID 141366116
4-[2-methyl-3-[(2-methyl-2-phenylpropanoyl)amino]phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 141366107

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-5-[[(4-fluorobenzoyl)amino]methyl]phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The IUPAC name of 4-[2-fluoro-5-[[(4-fluorobenzoyl)amino]methyl]phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide (CID 141366346) is 4-[2-fluoro-5-[[(4-fluorobenzoyl)amino]methyl]phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 4-[2-fluoro-5-[[(4-fluorobenzoyl)amino]methyl]phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 4-[2-fluoro-5-[[(4-fluorobenzoyl)amino]methyl]phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide is CN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)ccc(-c4cc(CNC(=O)c5ccc(F)cc5)ccc4F)c23)CC1.
What is the InChIKey of 4-[2-fluoro-5-[[(4-fluorobenzoyl)amino]methyl]phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The InChIKey is HSRRXIVMHAVCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29F2N5O3/c1-39-12-14-40(15-13-39)33(43)21-5-8-24-28(17-21)38-30-25(31(36)41)10-9-23(29(24)30)26-16-19(2-11-27(26)35)18-37-32(42)20-3-6-22(34)7-4-20/h2-11,16-17,38H,12-15,18H2,1H3,(H2,36,41)(H,37,42).
What are the key properties of 4-[2-fluoro-5-[[(4-fluorobenzoyl)amino]methyl]phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
4-[2-fluoro-5-[[(4-fluorobenzoyl)amino]methyl]phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide has a molecular weight of 581.62 g/mol, XLogP of 4.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-5-[[(4-fluorobenzoyl)amino]methyl]phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 141366346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).