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1-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-4-(4-methyl-2-pyridinyl)pentan-2-one

C22H26N4O2 — CID 157427721

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-4-(4-methyl-2-pyridinyl)pentan-2-one
SMILESCc1ccnc(C(C)CC(=O)COc2cc(C)c3c(C4CC4)nn(C)c3n2)c1
InChIInChI=1S/C22H26N4O2/c1-13-7-8-23-18(9-13)14(2)10-17(27)12-28-19-11-15(3)20-21(16-5-6-16)25-26(4)22(20)24-19/h7-9,11,14,16H,5-6,10,12H2,1-4H3
InChIKeyBQDTYRMCTXXXAR-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.00
Rot. Bonds7

About 1-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-4-(4-methyl-2-pyridinyl)pentan-2-one

1-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-4-(4-methyl-2-pyridinyl)pentan-2-one (PubChem CID 157427721) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-4-(4-methyl-2-pyridinyl)pentan-2-one.

Molecular Properties

Compound Name1-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-4-(4-methyl-2-pyridinyl)pentan-2-one
PubChem CID157427721
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-4-(4-methyl-2-pyridinyl)pentan-2-one
SMILESCc1ccnc(C(C)CC(=O)COc2cc(C)c3c(C4CC4)nn(C)c3n2)c1
InChIInChI=1S/C22H26N4O2/c1-13-7-8-23-18(9-13)14(2)10-17(27)12-28-19-11-15(3)20-21(16-5-6-16)25-26(4)22(20)24-19/h7-9,11,14,16H,5-6,10,12H2,1-4H3
InChIKeyBQDTYRMCTXXXAR-UHFFFAOYSA-N
XLogP4.00
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-4-(4-methyl-2-pyridinyl)pentan-2-one?
The IUPAC name of 1-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-4-(4-methyl-2-pyridinyl)pentan-2-one (CID 157427721) is 1-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-4-(4-methyl-2-pyridinyl)pentan-2-one.
What is the SMILES notation for 1-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-4-(4-methyl-2-pyridinyl)pentan-2-one?
The canonical SMILES for 1-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-4-(4-methyl-2-pyridinyl)pentan-2-one is Cc1ccnc(C(C)CC(=O)COc2cc(C)c3c(C4CC4)nn(C)c3n2)c1.
What is the InChIKey of 1-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-4-(4-methyl-2-pyridinyl)pentan-2-one?
The InChIKey is BQDTYRMCTXXXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-13-7-8-23-18(9-13)14(2)10-17(27)12-28-19-11-15(3)20-21(16-5-6-16)25-26(4)22(20)24-19/h7-9,11,14,16H,5-6,10,12H2,1-4H3.
What are the key properties of 1-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-4-(4-methyl-2-pyridinyl)pentan-2-one?
1-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-4-(4-methyl-2-pyridinyl)pentan-2-one has a molecular weight of 378.48 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-4-(4-methyl-2-pyridinyl)pentan-2-one is sourced from PubChem (CID 157427721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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