oxolan-2-yl-[4-(2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone

C20H24N6O2 — CID 56884781

IUPACoxolan-2-yl-[4-(2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESO=C(C1CCCO1)N1CCN(c2nc(-c3cccnc3)nc3c2CNC3)CC1
InChIInChI=1S/C20H24N6O2/c27-20(17-4-2-10-28-17)26-8-6-25(7-9-26)19-15-12-22-13-16(15)23-18(24-19)14-3-1-5-21-11-14/h1,3,5,11,17,22H,2,4,6-10,12-13H2
InChIKeyZQRCUMPANSWZPV-UHFFFAOYSA-N
MW380.45 g/mol
LogP0.97
Rot. Bonds3

About oxolan-2-yl-[4-(2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone

oxolan-2-yl-[4-(2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 56884781) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is oxolan-2-yl-[4-(2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Nameoxolan-2-yl-[4-(2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID56884781
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Nameoxolan-2-yl-[4-(2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESO=C(C1CCCO1)N1CCN(c2nc(-c3cccnc3)nc3c2CNC3)CC1
InChIInChI=1S/C20H24N6O2/c27-20(17-4-2-10-28-17)26-8-6-25(7-9-26)19-15-12-22-13-16(15)23-18(24-19)14-3-1-5-21-11-14/h1,3,5,11,17,22H,2,4,6-10,12-13H2
InChIKeyZQRCUMPANSWZPV-UHFFFAOYSA-N
XLogP0.97
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-[4-(2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of oxolan-2-yl-[4-(2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone (CID 56884781) is oxolan-2-yl-[4-(2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for oxolan-2-yl-[4-(2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for oxolan-2-yl-[4-(2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone is O=C(C1CCCO1)N1CCN(c2nc(-c3cccnc3)nc3c2CNC3)CC1.
What is the InChIKey of oxolan-2-yl-[4-(2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is ZQRCUMPANSWZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c27-20(17-4-2-10-28-17)26-8-6-25(7-9-26)19-15-12-22-13-16(15)23-18(24-19)14-3-1-5-21-11-14/h1,3,5,11,17,22H,2,4,6-10,12-13H2.
What are the key properties of oxolan-2-yl-[4-(2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
oxolan-2-yl-[4-(2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 380.45 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-[4-(2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 56884781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).