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

C29H29Cl2N5O3 — CID 77242157

IUPAC6-chloro-N-[1-[5-(6-chloro-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
SMILESCC(C)(C)C(NC(=O)c1cc2ccc(Cl)cc2[nH]1)C(=O)N1CC2CC1CN2C(=O)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C29H29Cl2N5O3/c1-29(2,3)25(34-26(37)23-8-15-4-6-17(30)10-21(15)32-23)28(39)36-14-19-12-20(36)13-35(19)27(38)24-9-16-5-7-18(31)11-22(16)33-24/h4-11,19-20,25,32-33H,12-14H2,1-3H3,(H,34,37)
InChIKeyVHAFKNBUBAUJFQ-UHFFFAOYSA-N
MW566.49 g/mol
LogP5.23
Rot. Bonds4

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

6-chloro-N-[1-[5-(6-chloro-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide (PubChem CID 77242157) has the molecular formula C29H29Cl2N5O3 and a molecular weight of 566.49 g/mol. Its IUPAC name is 6-chloro-N-[1-[5-(6-chloro-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-[5-(6-chloro-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
PubChem CID77242157
Molecular FormulaC29H29Cl2N5O3
Molecular Weight566.49 g/mol
Exact Mass565.16
IUPAC Name6-chloro-N-[1-[5-(6-chloro-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
SMILESCC(C)(C)C(NC(=O)c1cc2ccc(Cl)cc2[nH]1)C(=O)N1CC2CC1CN2C(=O)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C29H29Cl2N5O3/c1-29(2,3)25(34-26(37)23-8-15-4-6-17(30)10-21(15)32-23)28(39)36-14-19-12-20(36)13-35(19)27(38)24-9-16-5-7-18(31)11-22(16)33-24/h4-11,19-20,25,32-33H,12-14H2,1-3H3,(H,34,37)
InChIKeyVHAFKNBUBAUJFQ-UHFFFAOYSA-N
XLogP5.23
TPSA101.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.49
LogP ≤ 55.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-[1-[5-(6-chloro-1H-indole-2-carbonyl)-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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-[5-(6-chloro-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-N-[1-[5-(6-chloro-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide (CID 77242157) is 6-chloro-N-[1-[5-(6-chloro-1H-indole-2-carbonyl)-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 6-chloro-N-[1-[5-(6-chloro-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-N-[1-[5-(6-chloro-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide is CC(C)(C)C(NC(=O)c1cc2ccc(Cl)cc2[nH]1)C(=O)N1CC2CC1CN2C(=O)c1cc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-N-[1-[5-(6-chloro-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is VHAFKNBUBAUJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29Cl2N5O3/c1-29(2,3)25(34-26(37)23-8-15-4-6-17(30)10-21(15)32-23)28(39)36-14-19-12-20(36)13-35(19)27(38)24-9-16-5-7-18(31)11-22(16)33-24/h4-11,19-20,25,32-33H,12-14H2,1-3H3,(H,34,37).
What are the key properties of 6-chloro-N-[1-[5-(6-chloro-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide?
6-chloro-N-[1-[5-(6-chloro-1H-indole-2-carbonyl)-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 566.49 g/mol, XLogP of 5.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-[5-(6-chloro-1H-indole-2-carbonyl)-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 77242157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).