1-(1H-indol-4-ylmethyl)-9-(6-methylpyrazin-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecan-2-one

C22H25N5O2 — CID 57407187

IUPAC1-(1H-indol-4-ylmethyl)-9-(6-methylpyrazin-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecan-2-one
SMILESCc1cncc(N2CCC3(CC2)COCC(=O)N3Cc2cccc3[nH]ccc23)n1
InChIInChI=1S/C22H25N5O2/c1-16-11-23-12-20(25-16)26-9-6-22(7-10-26)15-29-14-21(28)27(22)13-17-3-2-4-19-18(17)5-8-24-19/h2-5,8,11-12,24H,6-7,9-10,13-15H2,1H3
InChIKeyPSZBRCHBLRNPMF-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.66
Rot. Bonds3

About 1-(1H-indol-4-ylmethyl)-9-(6-methylpyrazin-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecan-2-one

1-(1H-indol-4-ylmethyl)-9-(6-methylpyrazin-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecan-2-one (PubChem CID 57407187) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-(1H-indol-4-ylmethyl)-9-(6-methylpyrazin-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name1-(1H-indol-4-ylmethyl)-9-(6-methylpyrazin-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecan-2-one
PubChem CID57407187
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name1-(1H-indol-4-ylmethyl)-9-(6-methylpyrazin-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecan-2-one
SMILESCc1cncc(N2CCC3(CC2)COCC(=O)N3Cc2cccc3[nH]ccc23)n1
InChIInChI=1S/C22H25N5O2/c1-16-11-23-12-20(25-16)26-9-6-22(7-10-26)15-29-14-21(28)27(22)13-17-3-2-4-19-18(17)5-8-24-19/h2-5,8,11-12,24H,6-7,9-10,13-15H2,1H3
InChIKeyPSZBRCHBLRNPMF-UHFFFAOYSA-N
XLogP2.66
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-(1H-indol-4-yl)-2,6-bis((3R)-3-methylmorpholin-4-yl)-7H-purine
CID 60148794
8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-2-[(3S)-3-methylmorpholin-4-yl]-9H-purine
CID 60148924
1-((1H-indol-4-yl)methyl)-9-(quinoxalin-2-yl)-1,9-diazaspiro[5.5]undecan-2-one
CID 67252378
3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(1H-indol-4-yl)pyrazine-2-carboxamide
CID 118873320
4-(9H-pyrido[3,4-b]indol-1-yl)morpholine
CID 44395908
3-(4-Morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)aniline
CID 42635502
4-[4-(2-ethylimidazol-1-yl)-6-(1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine
CID 44159380
2-((1H-indol-4-yl)methyl)-9-(quinoxalin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one
CID 53259112
2-(1-((2-(1H-indol-4-yl)-4-morpholinopyrido[3,2-d]pyrimidin-6-yl)methyl)piperidin-4-yl)propan-2-ol
CID 53378155
4-((2-(5-fluoro-1H-indol-4-yl)-4-morpholinopyrido[3,2-d]pyrimidin-6-yl)methyl)morpholine
CID 53378900
3-(1H-indol-5-yl)-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
CID 59453117
(3S)-4-[8-(1H-indol-6-yl)-2-[(3S)-3-methylmorpholin-4-yl]-7H-purin-6-yl]-3-methylmorpholine
CID 60148793

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-4-ylmethyl)-9-(6-methylpyrazin-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 1-(1H-indol-4-ylmethyl)-9-(6-methylpyrazin-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecan-2-one (CID 57407187) is 1-(1H-indol-4-ylmethyl)-9-(6-methylpyrazin-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 1-(1H-indol-4-ylmethyl)-9-(6-methylpyrazin-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 1-(1H-indol-4-ylmethyl)-9-(6-methylpyrazin-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecan-2-one is Cc1cncc(N2CCC3(CC2)COCC(=O)N3Cc2cccc3[nH]ccc23)n1.
What is the InChIKey of 1-(1H-indol-4-ylmethyl)-9-(6-methylpyrazin-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecan-2-one?
The InChIKey is PSZBRCHBLRNPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16-11-23-12-20(25-16)26-9-6-22(7-10-26)15-29-14-21(28)27(22)13-17-3-2-4-19-18(17)5-8-24-19/h2-5,8,11-12,24H,6-7,9-10,13-15H2,1H3.
What are the key properties of 1-(1H-indol-4-ylmethyl)-9-(6-methylpyrazin-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecan-2-one?
1-(1H-indol-4-ylmethyl)-9-(6-methylpyrazin-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 391.48 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-4-ylmethyl)-9-(6-methylpyrazin-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 57407187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).