1-[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-3-(1H-indol-3-yl)propan-1-one

C23H27N5O — CID 163336247

IUPAC1-[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-3-(1H-indol-3-yl)propan-1-one
SMILESO=C(CCc1c[nH]c2ccccc12)N1CC(c2nncn2C2CC2)C2(CCC2)C1
InChIInChI=1S/C23H27N5O/c29-21(9-6-16-12-24-20-5-2-1-4-18(16)20)27-13-19(23(14-27)10-3-11-23)22-26-25-15-28(22)17-7-8-17/h1-2,4-5,12,15,17,19,24H,3,6-11,13-14H2
InChIKeyXTVCPYUYLHYTRU-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.82
Rot. Bonds5

About 1-[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-3-(1H-indol-3-yl)propan-1-one

1-[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-3-(1H-indol-3-yl)propan-1-one (PubChem CID 163336247) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-3-(1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-3-(1H-indol-3-yl)propan-1-one
PubChem CID163336247
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name1-[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-3-(1H-indol-3-yl)propan-1-one
SMILESO=C(CCc1c[nH]c2ccccc12)N1CC(c2nncn2C2CC2)C2(CCC2)C1
InChIInChI=1S/C23H27N5O/c29-21(9-6-16-12-24-20-5-2-1-4-18(16)20)27-13-19(23(14-27)10-3-11-23)22-26-25-15-28(22)17-7-8-17/h1-2,4-5,12,15,17,19,24H,3,6-11,13-14H2
InChIKeyXTVCPYUYLHYTRU-UHFFFAOYSA-N
XLogP3.82
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-3-(1H-indol-3-yl)propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(1H-indol-3-yl)ethanone
CID 146068168
1-[8-(4-ethyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-2-(1H-indol-3-yl)ethanone
CID 155881690
1-[(3S)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 124554934
[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-pyridin-3-ylmethanone
CID 155882224
[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-(1-methylcyclohexyl)methanone
CID 155881163
1-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-(1H-indol-3-yl)propan-1-one
CID 94061393
3-(1H-indol-3-yl)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 41037215
1-[3-(1H-indol-3-yl)propanoyl]piperidine-4-carboxamide
CID 17408046
3-(1H-indol-3-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95327617
1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 97017418
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 103900607
1-(3,6-dihydro-2H-pyridin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 115969994

Frequently Asked Questions

What is the IUPAC name of 1-[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-3-(1H-indol-3-yl)propan-1-one?
The IUPAC name of 1-[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-3-(1H-indol-3-yl)propan-1-one (CID 163336247) is 1-[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-3-(1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 1-[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-3-(1H-indol-3-yl)propan-1-one?
The canonical SMILES for 1-[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-3-(1H-indol-3-yl)propan-1-one is O=C(CCc1c[nH]c2ccccc12)N1CC(c2nncn2C2CC2)C2(CCC2)C1.
What is the InChIKey of 1-[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-3-(1H-indol-3-yl)propan-1-one?
The InChIKey is XTVCPYUYLHYTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c29-21(9-6-16-12-24-20-5-2-1-4-18(16)20)27-13-19(23(14-27)10-3-11-23)22-26-25-15-28(22)17-7-8-17/h1-2,4-5,12,15,17,19,24H,3,6-11,13-14H2.
What are the key properties of 1-[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-3-(1H-indol-3-yl)propan-1-one?
1-[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-3-(1H-indol-3-yl)propan-1-one has a molecular weight of 389.50 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-3-(1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 163336247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).