N-(3-hydroxy-2,2-dimethylpropyl)-1-methyl-3-(3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaen-11-yl)indole-5-carboxamide

C24H26N6O2 — CID 58382156

IUPACN-(3-hydroxy-2,2-dimethylpropyl)-1-methyl-3-(3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaen-11-yl)indole-5-carboxamide
SMILESCn1cc(-c2cc3c(ncc4c[nH]n(C)c43)n2)c2cc(C(=O)NCC(C)(C)CO)ccc21
InChIInChI=1S/C24H26N6O2/c1-24(2,13-31)12-26-23(32)14-5-6-20-16(7-14)18(11-29(20)3)19-8-17-21-15(10-27-30(21)4)9-25-22(17)28-19/h5-11,27,31H,12-13H2,1-4H3,(H,26,32)
InChIKeyJXOYBMQSGIUCID-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.36
Rot. Bonds5

About N-(3-hydroxy-2,2-dimethylpropyl)-1-methyl-3-(3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaen-11-yl)indole-5-carboxamide

N-(3-hydroxy-2,2-dimethylpropyl)-1-methyl-3-(3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaen-11-yl)indole-5-carboxamide (PubChem CID 58382156) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylpropyl)-1-methyl-3-(3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaen-11-yl)indole-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylpropyl)-1-methyl-3-(3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaen-11-yl)indole-5-carboxamide
PubChem CID58382156
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC NameN-(3-hydroxy-2,2-dimethylpropyl)-1-methyl-3-(3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaen-11-yl)indole-5-carboxamide
SMILESCn1cc(-c2cc3c(ncc4c[nH]n(C)c43)n2)c2cc(C(=O)NCC(C)(C)CO)ccc21
InChIInChI=1S/C24H26N6O2/c1-24(2,13-31)12-26-23(32)14-5-6-20-16(7-14)18(11-29(20)3)19-8-17-21-15(10-27-30(21)4)9-25-22(17)28-19/h5-11,27,31H,12-13H2,1-4H3,(H,26,32)
InChIKeyJXOYBMQSGIUCID-UHFFFAOYSA-N
XLogP3.36
TPSA100.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-1-methyl-3-(3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaen-11-yl)indole-5-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-1-methyl-3-(3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaen-11-yl)indole-5-carboxamide (CID 58382156) is N-(3-hydroxy-2,2-dimethylpropyl)-1-methyl-3-(3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaen-11-yl)indole-5-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylpropyl)-1-methyl-3-(3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaen-11-yl)indole-5-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylpropyl)-1-methyl-3-(3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaen-11-yl)indole-5-carboxamide is Cn1cc(-c2cc3c(ncc4c[nH]n(C)c43)n2)c2cc(C(=O)NCC(C)(C)CO)ccc21.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylpropyl)-1-methyl-3-(3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaen-11-yl)indole-5-carboxamide?
The InChIKey is JXOYBMQSGIUCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-24(2,13-31)12-26-23(32)14-5-6-20-16(7-14)18(11-29(20)3)19-8-17-21-15(10-27-30(21)4)9-25-22(17)28-19/h5-11,27,31H,12-13H2,1-4H3,(H,26,32).
What are the key properties of N-(3-hydroxy-2,2-dimethylpropyl)-1-methyl-3-(3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaen-11-yl)indole-5-carboxamide?
N-(3-hydroxy-2,2-dimethylpropyl)-1-methyl-3-(3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaen-11-yl)indole-5-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.36, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylpropyl)-1-methyl-3-(3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaen-11-yl)indole-5-carboxamide is sourced from PubChem (CID 58382156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).