(4R)-4-[(1R)-1-[6-(5-tert-butyl-1H-pyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

C21H28N6O2 — CID 126681029

IUPAC(4R)-4-[(1R)-1-[6-(5-tert-butyl-1H-pyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCc1c2c(O[C@H](C)[C@H]3CNC(=O)C3)nc(-c3cn[nH]c3C(C)(C)C)cc2nn1C
InChIInChI=1S/C21H28N6O2/c1-11-18-16(26-27(11)6)8-15(14-10-23-25-19(14)21(3,4)5)24-20(18)29-12(2)13-7-17(28)22-9-13/h8,10,12-13H,7,9H2,1-6H3,(H,22,28)(H,23,25)/t12-,13-/m1/s1
InChIKeyLFRKTPHMGPUZLP-CHWSQXEVSA-N
MW396.50 g/mol
LogP2.87
Rot. Bonds4

About (4R)-4-[(1R)-1-[6-(5-tert-butyl-1H-pyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[6-(5-tert-butyl-1H-pyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 126681029) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[6-(5-tert-butyl-1H-pyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[6-(5-tert-butyl-1H-pyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID126681029
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC Name(4R)-4-[(1R)-1-[6-(5-tert-butyl-1H-pyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCc1c2c(O[C@H](C)[C@H]3CNC(=O)C3)nc(-c3cn[nH]c3C(C)(C)C)cc2nn1C
InChIInChI=1S/C21H28N6O2/c1-11-18-16(26-27(11)6)8-15(14-10-23-25-19(14)21(3,4)5)24-20(18)29-12(2)13-7-17(28)22-9-13/h8,10,12-13H,7,9H2,1-6H3,(H,22,28)(H,23,25)/t12-,13-/m1/s1
InChIKeyLFRKTPHMGPUZLP-CHWSQXEVSA-N
XLogP2.87
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4R)-4-[(1R)-1-[6-(5-tert-butyl-1H-pyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[6-(5-tert-butyl-1H-pyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[6-(5-tert-butyl-1H-pyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 126681029) is (4R)-4-[(1R)-1-[6-(5-tert-butyl-1H-pyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[6-(5-tert-butyl-1H-pyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[6-(5-tert-butyl-1H-pyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is Cc1c2c(O[C@H](C)[C@H]3CNC(=O)C3)nc(-c3cn[nH]c3C(C)(C)C)cc2nn1C.
What is the InChIKey of (4R)-4-[(1R)-1-[6-(5-tert-butyl-1H-pyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is LFRKTPHMGPUZLP-CHWSQXEVSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-11-18-16(26-27(11)6)8-15(14-10-23-25-19(14)21(3,4)5)24-20(18)29-12(2)13-7-17(28)22-9-13/h8,10,12-13H,7,9H2,1-6H3,(H,22,28)(H,23,25)/t12-,13-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[6-(5-tert-butyl-1H-pyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[6-(5-tert-butyl-1H-pyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 396.50 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[6-(5-tert-butyl-1H-pyrazol-4-yl)-2,3-dimethylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 126681029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).