N-(1-hydroxy-2-methylpropan-2-yl)-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-6-carboxamide

C23H24N6O2 — CID 58382396

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-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-6-carboxamide
SMILESCn1cc(-c2cc3c(ncc4c[nH]n(C)c43)n2)c2ccc(C(=O)NC(C)(C)CO)cc21
InChIInChI=1S/C23H24N6O2/c1-23(2,12-30)27-22(31)13-5-6-15-17(11-28(3)19(15)7-13)18-8-16-20-14(10-25-29(20)4)9-24-21(16)26-18/h5-11,25,30H,12H2,1-4H3,(H,27,31)
InChIKeyMVJKPFIPPVBENZ-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.11
Rot. Bonds4

About N-(1-hydroxy-2-methylpropan-2-yl)-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-6-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-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-6-carboxamide (PubChem CID 58382396) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-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-6-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-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-6-carboxamide
PubChem CID58382396
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-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-6-carboxamide
SMILESCn1cc(-c2cc3c(ncc4c[nH]n(C)c43)n2)c2ccc(C(=O)NC(C)(C)CO)cc21
InChIInChI=1S/C23H24N6O2/c1-23(2,12-30)27-22(31)13-5-6-15-17(11-28(3)19(15)7-13)18-8-16-20-14(10-25-29(20)4)9-24-21(16)26-18/h5-11,25,30H,12H2,1-4H3,(H,27,31)
InChIKeyMVJKPFIPPVBENZ-UHFFFAOYSA-N
XLogP3.11
TPSA100.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-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-6-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-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-6-carboxamide (CID 58382396) is N-(1-hydroxy-2-methylpropan-2-yl)-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-6-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-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-6-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-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-6-carboxamide is Cn1cc(-c2cc3c(ncc4c[nH]n(C)c43)n2)c2ccc(C(=O)NC(C)(C)CO)cc21.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-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-6-carboxamide?
The InChIKey is MVJKPFIPPVBENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-23(2,12-30)27-22(31)13-5-6-15-17(11-28(3)19(15)7-13)18-8-16-20-14(10-25-29(20)4)9-24-21(16)26-18/h5-11,25,30H,12H2,1-4H3,(H,27,31).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-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-6-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-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-6-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 3.11, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-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-6-carboxamide is sourced from PubChem (CID 58382396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).