N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

C18H15N7O2 — CID 56911501

IUPACN-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESc1coc(-c2nc(CNc3nc(-c4ccncc4)nc4c3CNC4)no2)c1
InChIInChI=1S/C18H15N7O2/c1-2-14(26-7-1)18-23-15(25-27-18)10-21-17-12-8-20-9-13(12)22-16(24-17)11-3-5-19-6-4-11/h1-7,20H,8-10H2,(H,21,22,24)
InChIKeyQCKDHNKZVHLYEF-UHFFFAOYSA-N
MW361.37 g/mol
LogP2.40
Rot. Bonds5

About N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (PubChem CID 56911501) has the molecular formula C18H15N7O2 and a molecular weight of 361.37 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
PubChem CID56911501
Molecular FormulaC18H15N7O2
Molecular Weight361.37 g/mol
Exact Mass361.13
IUPAC NameN-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESc1coc(-c2nc(CNc3nc(-c4ccncc4)nc4c3CNC4)no2)c1
InChIInChI=1S/C18H15N7O2/c1-2-14(26-7-1)18-23-15(25-27-18)10-21-17-12-8-20-9-13(12)22-16(24-17)11-3-5-19-6-4-11/h1-7,20H,8-10H2,(H,21,22,24)
InChIKeyQCKDHNKZVHLYEF-UHFFFAOYSA-N
XLogP2.40
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (CID 56911501) is N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is c1coc(-c2nc(CNc3nc(-c4ccncc4)nc4c3CNC4)no2)c1.
What is the InChIKey of N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The InChIKey is QCKDHNKZVHLYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O2/c1-2-14(26-7-1)18-23-15(25-27-18)10-21-17-12-8-20-9-13(12)22-16(24-17)11-3-5-19-6-4-11/h1-7,20H,8-10H2,(H,21,22,24).
What are the key properties of N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine has a molecular weight of 361.37 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56911501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).