7-fluoro-N-[1-[5-(6-methoxy-1H-indole-2-carbonyl)-7-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide

C31H34FN5O4 — CID 91550537

IUPAC7-fluoro-N-[1-[5-(6-methoxy-1H-indole-2-carbonyl)-7-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)N3CC4C(C)C3CN4C(=O)C(NC(=O)c3cc4cccc(F)c4[nH]3)C(C)(C)C)[nH]c2c1
InChIInChI=1S/C31H34FN5O4/c1-16-24-15-37(25(16)14-36(24)29(39)23-11-17-9-10-19(41-5)13-21(17)33-23)30(40)27(31(2,3)4)35-28(38)22-12-18-7-6-8-20(32)26(18)34-22/h6-13,16,24-25,27,33-34H,14-15H2,1-5H3,(H,35,38)
InChIKeyGZQOSYHELNMKLC-UHFFFAOYSA-N
MW559.64 g/mol
LogP4.31
Rot. Bonds5

About 7-fluoro-N-[1-[5-(6-methoxy-1H-indole-2-carbonyl)-7-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide

7-fluoro-N-[1-[5-(6-methoxy-1H-indole-2-carbonyl)-7-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide (PubChem CID 91550537) has the molecular formula C31H34FN5O4 and a molecular weight of 559.64 g/mol. Its IUPAC name is 7-fluoro-N-[1-[5-(6-methoxy-1H-indole-2-carbonyl)-7-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[1-[5-(6-methoxy-1H-indole-2-carbonyl)-7-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
PubChem CID91550537
Molecular FormulaC31H34FN5O4
Molecular Weight559.64 g/mol
Exact Mass559.26
IUPAC Name7-fluoro-N-[1-[5-(6-methoxy-1H-indole-2-carbonyl)-7-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)N3CC4C(C)C3CN4C(=O)C(NC(=O)c3cc4cccc(F)c4[nH]3)C(C)(C)C)[nH]c2c1
InChIInChI=1S/C31H34FN5O4/c1-16-24-15-37(25(16)14-36(24)29(39)23-11-17-9-10-19(41-5)13-21(17)33-23)30(40)27(31(2,3)4)35-28(38)22-12-18-7-6-8-20(32)26(18)34-22/h6-13,16,24-25,27,33-34H,14-15H2,1-5H3,(H,35,38)
InChIKeyGZQOSYHELNMKLC-UHFFFAOYSA-N
XLogP4.31
TPSA110.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.64
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-N-[1-[5-(6-methoxy-1H-indole-2-carbonyl)-7-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

Tryprostatin A
CID 9929833
Bis(1H-2-indolyl)methanone 12
CID 5330528
4-methoxy-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide
CID 90936717
N-((1S)-1-(((1S)-1-Cyano-2-((3S)-2-oxopyrrolidin-3-YL)ethyl)carbamoyl)-3-methyl-butyl)-4-methoxy-1H-indole-2-carboxamide
CID 156907357
(6-methoxy-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
CID 4905344
acs.jmedchem.1c00409_ST.57
CID 73068450
1-(3-methoxyphenyl)-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801212
(4-ethylpiperazin-1-yl)(6-methoxy-1H-indol-2-yl)methanone
CID 4905025
N-benzyl-6-methoxy-N-methyl-1H-indole-2-carboxamide
CID 4905426
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
CID 4909393
4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide
CID 4912552
ethyl 4-(6-methoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate
CID 4974825

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[1-[5-(6-methoxy-1H-indole-2-carbonyl)-7-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of 7-fluoro-N-[1-[5-(6-methoxy-1H-indole-2-carbonyl)-7-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide (CID 91550537) is 7-fluoro-N-[1-[5-(6-methoxy-1H-indole-2-carbonyl)-7-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 7-fluoro-N-[1-[5-(6-methoxy-1H-indole-2-carbonyl)-7-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 7-fluoro-N-[1-[5-(6-methoxy-1H-indole-2-carbonyl)-7-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)N3CC4C(C)C3CN4C(=O)C(NC(=O)c3cc4cccc(F)c4[nH]3)C(C)(C)C)[nH]c2c1.
What is the InChIKey of 7-fluoro-N-[1-[5-(6-methoxy-1H-indole-2-carbonyl)-7-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is GZQOSYHELNMKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34FN5O4/c1-16-24-15-37(25(16)14-36(24)29(39)23-11-17-9-10-19(41-5)13-21(17)33-23)30(40)27(31(2,3)4)35-28(38)22-12-18-7-6-8-20(32)26(18)34-22/h6-13,16,24-25,27,33-34H,14-15H2,1-5H3,(H,35,38).
What are the key properties of 7-fluoro-N-[1-[5-(6-methoxy-1H-indole-2-carbonyl)-7-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide?
7-fluoro-N-[1-[5-(6-methoxy-1H-indole-2-carbonyl)-7-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 559.64 g/mol, XLogP of 4.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[1-[5-(6-methoxy-1H-indole-2-carbonyl)-7-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 91550537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).