1-(2,2-dimethyloxan-4-yl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one

C15H21N3O2 — CID 135471693

IUPAC1-(2,2-dimethyloxan-4-yl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cc(=O)[nH]c2c1c(C)nn2C1CCOC(C)(C)C1
InChIInChI=1S/C15H21N3O2/c1-9-7-12(19)16-14-13(9)10(2)17-18(14)11-5-6-20-15(3,4)8-11/h7,11H,5-6,8H2,1-4H3,(H,16,19)
InChIKeyPLZHFVVHWLRVMM-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.47
Rot. Bonds1

About 1-(2,2-dimethyloxan-4-yl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one

1-(2,2-dimethyloxan-4-yl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135471693) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(2,2-dimethyloxan-4-yl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-(2,2-dimethyloxan-4-yl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135471693
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(2,2-dimethyloxan-4-yl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cc(=O)[nH]c2c1c(C)nn2C1CCOC(C)(C)C1
InChIInChI=1S/C15H21N3O2/c1-9-7-12(19)16-14-13(9)10(2)17-18(14)11-5-6-20-15(3,4)8-11/h7,11H,5-6,8H2,1-4H3,(H,16,19)
InChIKeyPLZHFVVHWLRVMM-UHFFFAOYSA-N
XLogP2.47
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,4-trimethyl-1H,6H,7H-pyrazolo(3,4-b)pyridin-6-one
CID 135447117
1-cyclopentyl-3,4-dimethyl-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 135413839
3,4-dimethyl-1-pentyl-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135406013
1-Cyclohexyl-3,4-dimethyl-1,7-dihydro-pyrazolo[3,4-b]pyridin-6-one
CID 135473418
2,3,4-Trimethyl-2H-pyrazolo[3,4-b]pyridin-6(7H)-one
CID 135646623
6H-Pyrazolo[3,4-B]pyridin-6-one, 1,7-dihydro-4-(methoxymethyl)-1,3-dimethyl-
CID 135448475
4-(difluoromethyl)-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135562165
1,3-dimethyl-4-propyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135686633
3-methyl-1,4-dipropyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135734239
3,4-dimethyl-1-propyl-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 135734241
3,4-dimethyl-1-ethyl-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135853013
3-methyl-4-propan-2-yl-1-prop-2-enyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 136624133

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyloxan-4-yl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-(2,2-dimethyloxan-4-yl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135471693) is 1-(2,2-dimethyloxan-4-yl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-(2,2-dimethyloxan-4-yl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-(2,2-dimethyloxan-4-yl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one is Cc1cc(=O)[nH]c2c1c(C)nn2C1CCOC(C)(C)C1.
What is the InChIKey of 1-(2,2-dimethyloxan-4-yl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is PLZHFVVHWLRVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-9-7-12(19)16-14-13(9)10(2)17-18(14)11-5-6-20-15(3,4)8-11/h7,11H,5-6,8H2,1-4H3,(H,16,19).
What are the key properties of 1-(2,2-dimethyloxan-4-yl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one?
1-(2,2-dimethyloxan-4-yl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 275.35 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyloxan-4-yl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135471693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).