[2-cyclopentyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-5-yl]-pyrimidin-4-ylmethanone

C20H26N6O2 — CID 171150125

IUPAC[2-cyclopentyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
SMILESCc1nnc(C23CCN(C(=O)c4ccncn4)CC2CN(C2CCCC2)C3)o1
InChIInChI=1S/C20H26N6O2/c1-14-23-24-19(28-14)20-7-9-25(18(27)17-6-8-21-13-22-17)10-15(20)11-26(12-20)16-4-2-3-5-16/h6,8,13,15-16H,2-5,7,9-12H2,1H3
InChIKeyUNXUUTIIIJYAPP-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.83
Rot. Bonds3

About [2-cyclopentyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-5-yl]-pyrimidin-4-ylmethanone

[2-cyclopentyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-5-yl]-pyrimidin-4-ylmethanone (PubChem CID 171150125) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is [2-cyclopentyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-5-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[2-cyclopentyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
PubChem CID171150125
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name[2-cyclopentyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
SMILESCc1nnc(C23CCN(C(=O)c4ccncn4)CC2CN(C2CCCC2)C3)o1
InChIInChI=1S/C20H26N6O2/c1-14-23-24-19(28-14)20-7-9-25(18(27)17-6-8-21-13-22-17)10-15(20)11-26(12-20)16-4-2-3-5-16/h6,8,13,15-16H,2-5,7,9-12H2,1H3
InChIKeyUNXUUTIIIJYAPP-UHFFFAOYSA-N
XLogP1.83
TPSA88.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-cyclopentyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-5-yl]-pyrimidin-4-ylmethanone with MolForge

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Related Compounds

2-(4-{1-[(1-propyl-1H-pyrazol-5-yl)carbonyl]-3-pyrrolidinyl}-1-piperidinyl)pyrimidine
CID 56894640
(2-propylpyrazol-3-yl)-[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone
CID 95718497
(2-propylpyrazol-3-yl)-[(3S)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]methanone
CID 95718498
[(3aR,6aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-4-ylmethanone
CID 97422334
[(3aR,6aR)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-4-ylmethanone
CID 97422348
[(3aS,7aR)-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(2-methylpyrazol-3-yl)methanone
CID 97422692
[(1S,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 97474316
[(3aR,7aR)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 97949893
[(3aS,6aS)-3a-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-4-ylmethanone
CID 124788450
[(3aS,6aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrimidin-4-ylmethanone
CID 124806336
[(3aS,7aS)-3a-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 124806526
[(3aR,7aS)-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(2-methylpyrazol-3-yl)methanone
CID 124813054

Frequently Asked Questions

What is the IUPAC name of [2-cyclopentyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-5-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [2-cyclopentyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-5-yl]-pyrimidin-4-ylmethanone (CID 171150125) is [2-cyclopentyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-5-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [2-cyclopentyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-5-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [2-cyclopentyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-5-yl]-pyrimidin-4-ylmethanone is Cc1nnc(C23CCN(C(=O)c4ccncn4)CC2CN(C2CCCC2)C3)o1.
What is the InChIKey of [2-cyclopentyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-5-yl]-pyrimidin-4-ylmethanone?
The InChIKey is UNXUUTIIIJYAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-14-23-24-19(28-14)20-7-9-25(18(27)17-6-8-21-13-22-17)10-15(20)11-26(12-20)16-4-2-3-5-16/h6,8,13,15-16H,2-5,7,9-12H2,1H3.
What are the key properties of [2-cyclopentyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-5-yl]-pyrimidin-4-ylmethanone?
[2-cyclopentyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-5-yl]-pyrimidin-4-ylmethanone has a molecular weight of 382.47 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopentyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-5-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 171150125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).