1'-(oxolan-3-ylmethyl)-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]

C21H26N4O — CID 118742596

IUPAC1'-(oxolan-3-ylmethyl)-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]
SMILESc1cnc(N2CC3(CCN(CC4CCOC4)CC3)c3ccccc32)nc1
InChIInChI=1S/C21H26N4O/c1-2-5-19-18(4-1)21(16-25(19)20-22-9-3-10-23-20)7-11-24(12-8-21)14-17-6-13-26-15-17/h1-5,9-10,17H,6-8,11-16H2
InChIKeyONKHUFYLYMARAU-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.00
Rot. Bonds3

About 1'-(oxolan-3-ylmethyl)-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]

1'-(oxolan-3-ylmethyl)-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine] (PubChem CID 118742596) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 1'-(oxolan-3-ylmethyl)-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine].

Molecular Properties

Compound Name1'-(oxolan-3-ylmethyl)-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]
PubChem CID118742596
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name1'-(oxolan-3-ylmethyl)-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]
SMILESc1cnc(N2CC3(CCN(CC4CCOC4)CC3)c3ccccc32)nc1
InChIInChI=1S/C21H26N4O/c1-2-5-19-18(4-1)21(16-25(19)20-22-9-3-10-23-20)7-11-24(12-8-21)14-17-6-13-26-15-17/h1-5,9-10,17H,6-8,11-16H2
InChIKeyONKHUFYLYMARAU-UHFFFAOYSA-N
XLogP3.00
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[2-[2-(4-Methylpiperazin-1-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]propyl]morpholine
CID 117906934
(2,3-Dihydro-indol-1-yl)-(1-pyrimidin-2-yl-piperidin-3-yl)-methanone
CID 653143
4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)-N-(3-methoxypropyl)pyrimidin-2-amine
CID 44591318
7-(4-Pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 164610754
4-[4-(2,3-Dihydroindol-1-yl)-5-fluoropyrimidin-2-yl]morpholine
CID 2219395
1-(2,3-Dihydroindol-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 2351747
2-(2-Methyl-1-pyrrolidinyl)-6-(tetrahydro-2H-pyran-4-yl)[4,5'-bipyrimidin]-2'-amine
CID 86303995
1-(cyclopropylmethyl)-1'-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine];2,2,2-trifluoroacetic acid
CID 118744017
(4aS,7aR)-4-(4-phenylpyrimidin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonitrile
CID 155526006
US10851082, Nucc-0176231
CID 129086070
US11084821, Example 7
CID 142314567
3-(2,3-Dihydroindol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 40010252

Frequently Asked Questions

What is the IUPAC name of 1'-(oxolan-3-ylmethyl)-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]?
The IUPAC name of 1'-(oxolan-3-ylmethyl)-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine] (CID 118742596) is 1'-(oxolan-3-ylmethyl)-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine].
What is the SMILES notation for 1'-(oxolan-3-ylmethyl)-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]?
The canonical SMILES for 1'-(oxolan-3-ylmethyl)-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine] is c1cnc(N2CC3(CCN(CC4CCOC4)CC3)c3ccccc32)nc1.
What is the InChIKey of 1'-(oxolan-3-ylmethyl)-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]?
The InChIKey is ONKHUFYLYMARAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-2-5-19-18(4-1)21(16-25(19)20-22-9-3-10-23-20)7-11-24(12-8-21)14-17-6-13-26-15-17/h1-5,9-10,17H,6-8,11-16H2.
What are the key properties of 1'-(oxolan-3-ylmethyl)-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]?
1'-(oxolan-3-ylmethyl)-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine] has a molecular weight of 350.47 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(oxolan-3-ylmethyl)-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine] is sourced from PubChem (CID 118742596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).