11-(5-methoxy-1-propan-2-ylindol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),5,7,11-tetraene

C21H23N5O — CID 123144372

IUPAC11-(5-methoxy-1-propan-2-ylindol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),5,7,11-tetraene
SMILESCOc1ccc2c(c1)c(-c1cc3c([nH]1)N=CC1=CNN(C)C13)cn2C(C)C
InChIInChI=1S/C21H23N5O/c1-12(2)26-11-17(15-7-14(27-4)5-6-19(15)26)18-8-16-20-13(10-23-25(20)3)9-22-21(16)24-18/h5-12,20,23-24H,1-4H3
InChIKeyMBGJPPURIRHATC-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.32
Rot. Bonds3

About 11-(5-methoxy-1-propan-2-ylindol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),5,7,11-tetraene

11-(5-methoxy-1-propan-2-ylindol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),5,7,11-tetraene (PubChem CID 123144372) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 11-(5-methoxy-1-propan-2-ylindol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),5,7,11-tetraene.

Molecular Properties

Compound Name11-(5-methoxy-1-propan-2-ylindol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),5,7,11-tetraene
PubChem CID123144372
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name11-(5-methoxy-1-propan-2-ylindol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),5,7,11-tetraene
SMILESCOc1ccc2c(c1)c(-c1cc3c([nH]1)N=CC1=CNN(C)C13)cn2C(C)C
InChIInChI=1S/C21H23N5O/c1-12(2)26-11-17(15-7-14(27-4)5-6-19(15)26)18-8-16-20-13(10-23-25(20)3)9-22-21(16)24-18/h5-12,20,23-24H,1-4H3
InChIKeyMBGJPPURIRHATC-UHFFFAOYSA-N
XLogP4.32
TPSA57.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 11-(5-methoxy-1-propan-2-ylindol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),5,7,11-tetraene with MolForge

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Related Compounds

2-[5-methoxy-3-(3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),5,7,11-tetraen-11-yl)indol-1-yl]acetic acid
CID 123914703
11-(5-methoxy-1-methylindazol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),5,7,11-tetraene
CID 137098996
2-(5-methoxy-1-propan-2-ylindol-3-yl)propanoic acid
CID 117121168
5-methoxy-1-methyl-3-(1-methyl-2-methylsulfonyl-4H-pyrrolo[2,3-d]imidazol-5-yl)indole
CID 142199899
4-(5-methoxy-1-methylindol-3-yl)-12-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 58009972
4-(5-methoxy-1-methylindol-3-yl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 58382433
5-methoxy-1-methyl-3-(1H-pyrrol-2-yl)indole
CID 69300712
N-benzyl-2-[5-methoxy-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]propanamide
CID 90999703
5-methoxy-3-[3-(4-methylpiperazin-1-yl)propyl]-1-propan-2-ylindole
CID 170864106
6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-2-carbaldehyde
CID 123443949
N-[2-(5-methoxy-1-propan-2-ylindol-3-yl)ethyl]acetamide
CID 86078316
2-(5-methoxy-1-methylindol-3-yl)-N-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 22477297

Frequently Asked Questions

What is the IUPAC name of 11-(5-methoxy-1-propan-2-ylindol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),5,7,11-tetraene?
The IUPAC name of 11-(5-methoxy-1-propan-2-ylindol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),5,7,11-tetraene (CID 123144372) is 11-(5-methoxy-1-propan-2-ylindol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),5,7,11-tetraene.
What is the SMILES notation for 11-(5-methoxy-1-propan-2-ylindol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),5,7,11-tetraene?
The canonical SMILES for 11-(5-methoxy-1-propan-2-ylindol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),5,7,11-tetraene is COc1ccc2c(c1)c(-c1cc3c([nH]1)N=CC1=CNN(C)C13)cn2C(C)C.
What is the InChIKey of 11-(5-methoxy-1-propan-2-ylindol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),5,7,11-tetraene?
The InChIKey is MBGJPPURIRHATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-12(2)26-11-17(15-7-14(27-4)5-6-19(15)26)18-8-16-20-13(10-23-25(20)3)9-22-21(16)24-18/h5-12,20,23-24H,1-4H3.
What are the key properties of 11-(5-methoxy-1-propan-2-ylindol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),5,7,11-tetraene?
11-(5-methoxy-1-propan-2-ylindol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),5,7,11-tetraene has a molecular weight of 361.45 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(5-methoxy-1-propan-2-ylindol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),5,7,11-tetraene is sourced from PubChem (CID 123144372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).