4-[2-fluoro-3-(1,3-thiazol-2-ylmethoxy)phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide

C29H26FN5O3S — CID 141365970

IUPAC4-[2-fluoro-3-(1,3-thiazol-2-ylmethoxy)phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
SMILESCN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)ccc(-c4cccc(OCc5nccs5)c4F)c23)CC1
InChIInChI=1S/C29H26FN5O3S/c1-34-10-12-35(13-11-34)29(37)17-5-6-20-22(15-17)33-27-21(28(31)36)8-7-18(25(20)27)19-3-2-4-23(26(19)30)38-16-24-32-9-14-39-24/h2-9,14-15,33H,10-13,16H2,1H3,(H2,31,36)
InChIKeyXVKHGEBSNZIUNH-UHFFFAOYSA-N
MW543.62 g/mol
LogP4.65
Rot. Bonds6

About 4-[2-fluoro-3-(1,3-thiazol-2-ylmethoxy)phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide

4-[2-fluoro-3-(1,3-thiazol-2-ylmethoxy)phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide (PubChem CID 141365970) has the molecular formula C29H26FN5O3S and a molecular weight of 543.62 g/mol. Its IUPAC name is 4-[2-fluoro-3-(1,3-thiazol-2-ylmethoxy)phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name4-[2-fluoro-3-(1,3-thiazol-2-ylmethoxy)phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
PubChem CID141365970
Molecular FormulaC29H26FN5O3S
Molecular Weight543.62 g/mol
Exact Mass543.17
IUPAC Name4-[2-fluoro-3-(1,3-thiazol-2-ylmethoxy)phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
SMILESCN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)ccc(-c4cccc(OCc5nccs5)c4F)c23)CC1
InChIInChI=1S/C29H26FN5O3S/c1-34-10-12-35(13-11-34)29(37)17-5-6-20-22(15-17)33-27-21(28(31)36)8-7-18(25(20)27)19-3-2-4-23(26(19)30)38-16-24-32-9-14-39-24/h2-9,14-15,33H,10-13,16H2,1H3,(H2,31,36)
InChIKeyXVKHGEBSNZIUNH-UHFFFAOYSA-N
XLogP4.65
TPSA104.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.62
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-fluoro-3-(1,3-thiazol-2-ylmethoxy)phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-3-(1,3-thiazol-2-ylmethoxy)phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The IUPAC name of 4-[2-fluoro-3-(1,3-thiazol-2-ylmethoxy)phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide (CID 141365970) is 4-[2-fluoro-3-(1,3-thiazol-2-ylmethoxy)phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 4-[2-fluoro-3-(1,3-thiazol-2-ylmethoxy)phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 4-[2-fluoro-3-(1,3-thiazol-2-ylmethoxy)phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide is CN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)ccc(-c4cccc(OCc5nccs5)c4F)c23)CC1.
What is the InChIKey of 4-[2-fluoro-3-(1,3-thiazol-2-ylmethoxy)phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The InChIKey is XVKHGEBSNZIUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN5O3S/c1-34-10-12-35(13-11-34)29(37)17-5-6-20-22(15-17)33-27-21(28(31)36)8-7-18(25(20)27)19-3-2-4-23(26(19)30)38-16-24-32-9-14-39-24/h2-9,14-15,33H,10-13,16H2,1H3,(H2,31,36).
What are the key properties of 4-[2-fluoro-3-(1,3-thiazol-2-ylmethoxy)phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
4-[2-fluoro-3-(1,3-thiazol-2-ylmethoxy)phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide has a molecular weight of 543.62 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-3-(1,3-thiazol-2-ylmethoxy)phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 141365970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).