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(4R)-3-tert-butyl-4-(1H-imidazol-2-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C14H19N5O — CID 136810369

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

IUPAC(4R)-3-tert-butyl-4-(1H-imidazol-2-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCn1nc(C(C)(C)C)c2c1NC(=O)C[C@H]2c1ncc[nH]1
InChIInChI=1S/C14H19N5O/c1-14(2,3)11-10-8(12-15-5-6-16-12)7-9(20)17-13(10)19(4)18-11/h5-6,8H,7H2,1-4H3,(H,15,16)(H,17,20)/t8-/m1/s1
InChIKeyWOKFCTUWZUZIRT-MRVPVSSYSA-N
MW273.34 g/mol
LogP1.91
Rot. Bonds1

About (4R)-3-tert-butyl-4-(1H-imidazol-2-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4R)-3-tert-butyl-4-(1H-imidazol-2-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136810369) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is (4R)-3-tert-butyl-4-(1H-imidazol-2-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-3-tert-butyl-4-(1H-imidazol-2-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136810369
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name(4R)-3-tert-butyl-4-(1H-imidazol-2-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCn1nc(C(C)(C)C)c2c1NC(=O)C[C@H]2c1ncc[nH]1
InChIInChI=1S/C14H19N5O/c1-14(2,3)11-10-8(12-15-5-6-16-12)7-9(20)17-13(10)19(4)18-11/h5-6,8H,7H2,1-4H3,(H,15,16)(H,17,20)/t8-/m1/s1
InChIKeyWOKFCTUWZUZIRT-MRVPVSSYSA-N
XLogP1.91
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-tert-butyl-4-(1H-imidazol-2-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-3-tert-butyl-4-(1H-imidazol-2-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136810369) is (4R)-3-tert-butyl-4-(1H-imidazol-2-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-3-tert-butyl-4-(1H-imidazol-2-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-3-tert-butyl-4-(1H-imidazol-2-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cn1nc(C(C)(C)C)c2c1NC(=O)C[C@H]2c1ncc[nH]1.
What is the InChIKey of (4R)-3-tert-butyl-4-(1H-imidazol-2-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is WOKFCTUWZUZIRT-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-14(2,3)11-10-8(12-15-5-6-16-12)7-9(20)17-13(10)19(4)18-11/h5-6,8H,7H2,1-4H3,(H,15,16)(H,17,20)/t8-/m1/s1.
What are the key properties of (4R)-3-tert-butyl-4-(1H-imidazol-2-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4R)-3-tert-butyl-4-(1H-imidazol-2-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 273.34 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-tert-butyl-4-(1H-imidazol-2-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136810369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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