1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(1H-indol-3-yl)ethanone

C23H27N5O — CID 146068168

IUPAC1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(1H-indol-3-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CC(c2nncn2C2CC2)C2(CCCC2)C1
InChIInChI=1S/C23H27N5O/c29-21(11-16-12-24-20-6-2-1-5-18(16)20)27-13-19(23(14-27)9-3-4-10-23)22-26-25-15-28(22)17-7-8-17/h1-2,5-6,12,15,17,19,24H,3-4,7-11,13-14H2
InChIKeyBHHIPEDFLSAFMT-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.82
Rot. Bonds4

About 1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(1H-indol-3-yl)ethanone

1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(1H-indol-3-yl)ethanone (PubChem CID 146068168) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(1H-indol-3-yl)ethanone
PubChem CID146068168
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(1H-indol-3-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CC(c2nncn2C2CC2)C2(CCCC2)C1
InChIInChI=1S/C23H27N5O/c29-21(11-16-12-24-20-6-2-1-5-18(16)20)27-13-19(23(14-27)9-3-4-10-23)22-26-25-15-28(22)17-7-8-17/h1-2,5-6,12,15,17,19,24H,3-4,7-11,13-14H2
InChIKeyBHHIPEDFLSAFMT-UHFFFAOYSA-N
XLogP3.82
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

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Related Compounds

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
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
cyclopropyl-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]methanone
CID 146068162
[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-(1-methylcyclohexyl)methanone
CID 155881163
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 106671580
[8-(4-cyclopropyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-pyridin-3-ylmethanone
CID 155882224
1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 79036611
2-(1H-indol-3-yl)-1-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanone
CID 95712165
1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 43397905
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 110806405
1-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-2-(1H-indol-3-yl)ethanone
CID 71099604

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 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) is 1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(1H-indol-3-yl)ethanone is O=C(Cc1c[nH]c2ccccc12)N1CC(c2nncn2C2CC2)C2(CCCC2)C1.
What is the InChIKey of 1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(1H-indol-3-yl)ethanone?
The InChIKey is BHHIPEDFLSAFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c29-21(11-16-12-24-20-6-2-1-5-18(16)20)27-13-19(23(14-27)9-3-4-10-23)22-26-25-15-28(22)17-7-8-17/h1-2,5-6,12,15,17,19,24H,3-4,7-11,13-14H2.
What are the key properties of 1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(1H-indol-3-yl)ethanone?
1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(1H-indol-3-yl)ethanone has a molecular weight of 389.50 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 146068168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).