2-(1H-indol-3-ylmethyl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-1-one

C22H25N5O — CID 72703893

IUPAC2-(1H-indol-3-ylmethyl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1cnccn1)CC2
InChIInChI=1S/C22H25N5O/c28-21-22(7-12-26(13-8-22)20-15-23-9-10-24-20)6-3-11-27(21)16-17-14-25-19-5-2-1-4-18(17)19/h1-2,4-5,9-10,14-15,25H,3,6-8,11-13,16H2
InChIKeyCCGWDYLPWSYNLM-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.37
Rot. Bonds3

About 2-(1H-indol-3-ylmethyl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-1-one

2-(1H-indol-3-ylmethyl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 72703893) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-(1H-indol-3-ylmethyl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name2-(1H-indol-3-ylmethyl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID72703893
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name2-(1H-indol-3-ylmethyl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1cnccn1)CC2
InChIInChI=1S/C22H25N5O/c28-21-22(7-12-26(13-8-22)20-15-23-9-10-24-20)6-3-11-27(21)16-17-14-25-19-5-2-1-4-18(17)19/h1-2,4-5,9-10,14-15,25H,3,6-8,11-13,16H2
InChIKeyCCGWDYLPWSYNLM-UHFFFAOYSA-N
XLogP3.37
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Delavuridine
CID 72346
1H-Pyrrolo(3,2-c)pyridine-1-acetamide, 4-(2-methyl-4-pyridinyl)-N-(5-(2-pyrazinyl)-2-pyridinyl)-
CID 121280694
2-Methyl-3-{[4-(Pyridin-2-Yl)piperazin-1-Yl]methyl}-1h-Indole
CID 2813100
Indole Naphthyridinone
CID 5288607
Piperazine, 1-(3-(ethylamino)-2-pyridinyl)-4-(1H-indol-2-ylcarbonyl)-
CID 453217
N-[2-[4-[ethyl-[3-(isopropylamino)-2-pyridyl]amino]piperidine-1-carbonyl]-1H-indol-5-yl]-4-methyl-piperazine-1-sulfonamide
CID 462977
1-[[5-[[(4-Methyl-1-piperazinyl)carbonyl]amino]indol-2-yl]carbonyl]-4-[N-ethyl-N-[3-[(1,1-dimethylethyl)amino]-2-pyridinyl]amino]piperidine
CID 462978
Histidyltryptophyldiketopiperazine
CID 24066854
Piperazine, 1-((6-fluoro-1H-indol-2-yl)carbonyl)-4-(3-((1-methylethyl)amino)-2-pyridinyl)-
CID 453391
1H-indol-2-yl-[4-[[3-(isopropylamino)-2-pyridyl]-methyl-amino]-1-piperidyl]methanone
CID 462952
6H-Dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one, 11-ethyl-5,11-dihydro-5-methyl-2-(1H-pyrrolo(2,3-c)pyridin-3-yl)-
CID 466848
7-{[(1r,2s)-2-Aminocyclohexyl]amino}-5-(1h-Indol-7-Ylamino)pyrido[4,3-D]pyrimidin-4(3h)-One
CID 135566923

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-ylmethyl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 2-(1H-indol-3-ylmethyl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-1-one (CID 72703893) is 2-(1H-indol-3-ylmethyl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 2-(1H-indol-3-ylmethyl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 2-(1H-indol-3-ylmethyl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-1-one is O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1cnccn1)CC2.
What is the InChIKey of 2-(1H-indol-3-ylmethyl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is CCGWDYLPWSYNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c28-21-22(7-12-26(13-8-22)20-15-23-9-10-24-20)6-3-11-27(21)16-17-14-25-19-5-2-1-4-18(17)19/h1-2,4-5,9-10,14-15,25H,3,6-8,11-13,16H2.
What are the key properties of 2-(1H-indol-3-ylmethyl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-1-one?
2-(1H-indol-3-ylmethyl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 375.48 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-ylmethyl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 72703893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).