ethane;5-[1-[ethyl-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]-1H-pyridin-2-one

C17H24N6O — CID 178106979

IUPACethane;5-[1-[ethyl-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]-1H-pyridin-2-one
SMILESCC.CCN(c1nc(C)nc2[nH]ncc12)C(C)c1ccc(=O)[nH]c1
InChIInChI=1S/C15H18N6O.C2H6/c1-4-21(9(2)11-5-6-13(22)16-7-11)15-12-8-17-20-14(12)18-10(3)19-15;1-2/h5-9H,4H2,1-3H3,(H,16,22)(H,17,18,19,20);1-2H3
InChIKeyNDBVKUUYOHNDTP-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.96
Rot. Bonds4

About ethane;5-[1-[ethyl-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]-1H-pyridin-2-one

ethane;5-[1-[ethyl-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]-1H-pyridin-2-one (PubChem CID 178106979) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is ethane;5-[1-[ethyl-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Nameethane;5-[1-[ethyl-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]-1H-pyridin-2-one
PubChem CID178106979
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Nameethane;5-[1-[ethyl-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]-1H-pyridin-2-one
SMILESCC.CCN(c1nc(C)nc2[nH]ncc12)C(C)c1ccc(=O)[nH]c1
InChIInChI=1S/C15H18N6O.C2H6/c1-4-21(9(2)11-5-6-13(22)16-7-11)15-12-8-17-20-14(12)18-10(3)19-15;1-2/h5-9H,4H2,1-3H3,(H,16,22)(H,17,18,19,20);1-2H3
InChIKeyNDBVKUUYOHNDTP-UHFFFAOYSA-N
XLogP2.96
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;5-[1-[ethyl-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]-1H-pyridin-2-one?
The IUPAC name of ethane;5-[1-[ethyl-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]-1H-pyridin-2-one (CID 178106979) is ethane;5-[1-[ethyl-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]-1H-pyridin-2-one.
What is the SMILES notation for ethane;5-[1-[ethyl-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]-1H-pyridin-2-one?
The canonical SMILES for ethane;5-[1-[ethyl-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]-1H-pyridin-2-one is CC.CCN(c1nc(C)nc2[nH]ncc12)C(C)c1ccc(=O)[nH]c1.
What is the InChIKey of ethane;5-[1-[ethyl-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]-1H-pyridin-2-one?
The InChIKey is NDBVKUUYOHNDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O.C2H6/c1-4-21(9(2)11-5-6-13(22)16-7-11)15-12-8-17-20-14(12)18-10(3)19-15;1-2/h5-9H,4H2,1-3H3,(H,16,22)(H,17,18,19,20);1-2H3.
What are the key properties of ethane;5-[1-[ethyl-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]-1H-pyridin-2-one?
ethane;5-[1-[ethyl-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]-1H-pyridin-2-one has a molecular weight of 328.42 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[1-[ethyl-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]ethyl]-1H-pyridin-2-one is sourced from PubChem (CID 178106979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).