[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

C21H24N4O3 — CID 109261707

IUPAC[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1cnc(N2CCC3(CC2)OCCO3)nc1
InChIInChI=1S/C21H24N4O3/c1-15-12-16-4-2-3-5-18(16)25(15)19(26)17-13-22-20(23-14-17)24-8-6-21(7-9-24)27-10-11-28-21/h2-5,13-15H,6-12H2,1H3
InChIKeyIVRDYCRXBGGPHJ-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.41
Rot. Bonds2

About [2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 109261707) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is [2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID109261707
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1cnc(N2CCC3(CC2)OCCO3)nc1
InChIInChI=1S/C21H24N4O3/c1-15-12-16-4-2-3-5-18(16)25(15)19(26)17-13-22-20(23-14-17)24-8-6-21(7-9-24)27-10-11-28-21/h2-5,13-15H,6-12H2,1H3
InChIKeyIVRDYCRXBGGPHJ-UHFFFAOYSA-N
XLogP2.41
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone with MolForge

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Related Compounds

(1-benzoyl-2,3-dihydroindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 20954567
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carboxylic acid
CID 43427178
(2R)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 95640677
[6-(ethylamino)-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 62172788
8-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112897459
[2-(3,5-dichloroanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109270569
[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 58674751
N-[4-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
CID 109164561
[2-(2-ethylanilino)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109267409
1-[3-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrimidin-2-yl]amino]phenyl]ethanone
CID 109270088
[4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl] acetate
CID 7336980

Frequently Asked Questions

What is the IUPAC name of [2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 109261707) is [2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is CC1Cc2ccccc2N1C(=O)c1cnc(N2CCC3(CC2)OCCO3)nc1.
What is the InChIKey of [2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is IVRDYCRXBGGPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-15-12-16-4-2-3-5-18(16)25(15)19(26)17-13-22-20(23-14-17)24-8-6-21(7-9-24)27-10-11-28-21/h2-5,13-15H,6-12H2,1H3.
What are the key properties of [2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 380.45 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 109261707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).