4-(2,3-difluorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide

C25H22F2N4O2 — CID 122191238

IUPAC4-(2,3-difluorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
SMILESCN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)ccc(-c4cccc(F)c4F)c23)CC1
InChIInChI=1S/C25H22F2N4O2/c1-30-9-11-31(12-10-30)25(33)14-5-6-17-20(13-14)29-23-18(24(28)32)8-7-15(21(17)23)16-3-2-4-19(26)22(16)27/h2-8,13,29H,9-12H2,1H3,(H2,28,32)
InChIKeyKEYMEQBAAWPLDN-UHFFFAOYSA-N
MW448.47 g/mol
LogP3.75
Rot. Bonds3

About 4-(2,3-difluorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide

4-(2,3-difluorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide (PubChem CID 122191238) has the molecular formula C25H22F2N4O2 and a molecular weight of 448.47 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
PubChem CID122191238
Molecular FormulaC25H22F2N4O2
Molecular Weight448.47 g/mol
Exact Mass448.17
IUPAC Name4-(2,3-difluorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
SMILESCN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)ccc(-c4cccc(F)c4F)c23)CC1
InChIInChI=1S/C25H22F2N4O2/c1-30-9-11-31(12-10-30)25(33)14-5-6-17-20(13-14)29-23-18(24(28)32)8-7-15(21(17)23)16-3-2-4-19(26)22(16)27/h2-8,13,29H,9-12H2,1H3,(H2,28,32)
InChIKeyKEYMEQBAAWPLDN-UHFFFAOYSA-N
XLogP3.75
TPSA82.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.47
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The IUPAC name of 4-(2,3-difluorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide (CID 122191238) is 4-(2,3-difluorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 4-(2,3-difluorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 4-(2,3-difluorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide is CN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)ccc(-c4cccc(F)c4F)c23)CC1.
What is the InChIKey of 4-(2,3-difluorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The InChIKey is KEYMEQBAAWPLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4O2/c1-30-9-11-31(12-10-30)25(33)14-5-6-17-20(13-14)29-23-18(24(28)32)8-7-15(21(17)23)16-3-2-4-19(26)22(16)27/h2-8,13,29H,9-12H2,1H3,(H2,28,32).
What are the key properties of 4-(2,3-difluorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
4-(2,3-difluorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide has a molecular weight of 448.47 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 122191238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).