6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-3-(3-fluoro-4-methoxyphenyl)-9H-carbazole-1-carboxamide

C29H27FN4O4 — CID 66605760

IUPAC6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-3-(3-fluoro-4-methoxyphenyl)-9H-carbazole-1-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)c3[nH]c4ccc(C(=O)N5CCN(C(=O)C6CC6)CC5)cc4c3c2)cc1F
InChIInChI=1S/C29H27FN4O4/c1-38-25-7-5-17(15-23(25)30)19-13-21-20-12-18(4-6-24(20)32-26(21)22(14-19)27(31)35)29(37)34-10-8-33(9-11-34)28(36)16-2-3-16/h4-7,12-16,32H,2-3,8-11H2,1H3,(H2,31,35)
InChIKeyZQFMEBSYLGEMEJ-UHFFFAOYSA-N
MW514.56 g/mol
LogP3.93
Rot. Bonds5

About 6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-3-(3-fluoro-4-methoxyphenyl)-9H-carbazole-1-carboxamide

6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-3-(3-fluoro-4-methoxyphenyl)-9H-carbazole-1-carboxamide (PubChem CID 66605760) has the molecular formula C29H27FN4O4 and a molecular weight of 514.56 g/mol. Its IUPAC name is 6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-3-(3-fluoro-4-methoxyphenyl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-3-(3-fluoro-4-methoxyphenyl)-9H-carbazole-1-carboxamide
PubChem CID66605760
Molecular FormulaC29H27FN4O4
Molecular Weight514.56 g/mol
Exact Mass514.20
IUPAC Name6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-3-(3-fluoro-4-methoxyphenyl)-9H-carbazole-1-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)c3[nH]c4ccc(C(=O)N5CCN(C(=O)C6CC6)CC5)cc4c3c2)cc1F
InChIInChI=1S/C29H27FN4O4/c1-38-25-7-5-17(15-23(25)30)19-13-21-20-12-18(4-6-24(20)32-26(21)22(14-19)27(31)35)29(37)34-10-8-33(9-11-34)28(36)16-2-3-16/h4-7,12-16,32H,2-3,8-11H2,1H3,(H2,31,35)
InChIKeyZQFMEBSYLGEMEJ-UHFFFAOYSA-N
XLogP3.93
TPSA108.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.56
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-3-(3-fluoro-4-methoxyphenyl)-9H-carbazole-1-carboxamide with MolForge

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Related Compounds

6-Methoxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one
CID 378228
Carbazole-3-carboxamide analog 1
CID 46871948
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(4-methoxyphenyl)-1H-indol-3-yl]ethane-1,2-dione
CID 507829
3-{4-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 9978693
1-[4-(2-Methoxyphenyl)piperazino]-3-[2-[4-(trifluoromethyl)phenyl]-5-methyl-1H-indole-3-yl]-1-propanone
CID 18669059
3-[2-(4-Isopropyl-phenyl)-5-methyl-1H-indol-3-yl]-1-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propan-1-one
CID 18669097
(6S)-6-benzyl-1-[[3-(difluoromethoxy)phenyl]methyl]-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one
CID 122600565
(6S)-6-benzyl-4-(5-cyclopropyl-1H-indole-2-carbonyl)-1-[(2-methoxyphenyl)methyl]piperazin-2-one
CID 122600761
Marinacarboline A
CID 56598999
1H-Indole-2-carboxamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071647
(2S)-3-(1H-indol-2-yl)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]propanamide
CID 23648329
17-Methoxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15(20),16,18-octaen-14-one
CID 44318917

Frequently Asked Questions

What is the IUPAC name of 6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-3-(3-fluoro-4-methoxyphenyl)-9H-carbazole-1-carboxamide?
The IUPAC name of 6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-3-(3-fluoro-4-methoxyphenyl)-9H-carbazole-1-carboxamide (CID 66605760) is 6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-3-(3-fluoro-4-methoxyphenyl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-3-(3-fluoro-4-methoxyphenyl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-3-(3-fluoro-4-methoxyphenyl)-9H-carbazole-1-carboxamide is COc1ccc(-c2cc(C(N)=O)c3[nH]c4ccc(C(=O)N5CCN(C(=O)C6CC6)CC5)cc4c3c2)cc1F.
What is the InChIKey of 6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-3-(3-fluoro-4-methoxyphenyl)-9H-carbazole-1-carboxamide?
The InChIKey is ZQFMEBSYLGEMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN4O4/c1-38-25-7-5-17(15-23(25)30)19-13-21-20-12-18(4-6-24(20)32-26(21)22(14-19)27(31)35)29(37)34-10-8-33(9-11-34)28(36)16-2-3-16/h4-7,12-16,32H,2-3,8-11H2,1H3,(H2,31,35).
What are the key properties of 6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-3-(3-fluoro-4-methoxyphenyl)-9H-carbazole-1-carboxamide?
6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-3-(3-fluoro-4-methoxyphenyl)-9H-carbazole-1-carboxamide has a molecular weight of 514.56 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-3-(3-fluoro-4-methoxyphenyl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 66605760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).