(4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

C20H26N6O2 — CID 118386410

IUPAC(4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1nc(-c2cnn(C(C)(C)C)c2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C20H26N6O2/c1-12(13-6-18(27)21-8-13)28-19-15-11-25(5)24-17(15)7-16(23-19)14-9-22-26(10-14)20(2,3)4/h7,9-13H,6,8H2,1-5H3,(H,21,27)/t12-,13-/m1/s1
InChIKeyRHKFNBPBFDOJOE-CHWSQXEVSA-N
MW382.47 g/mol
LogP2.49
Rot. Bonds4

About (4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 118386410) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID118386410
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name(4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1nc(-c2cnn(C(C)(C)C)c2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C20H26N6O2/c1-12(13-6-18(27)21-8-13)28-19-15-11-25(5)24-17(15)7-16(23-19)14-9-22-26(10-14)20(2,3)4/h7,9-13H,6,8H2,1-5H3,(H,21,27)/t12-,13-/m1/s1
InChIKeyRHKFNBPBFDOJOE-CHWSQXEVSA-N
XLogP2.49
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 118386410) is (4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1nc(-c2cnn(C(C)(C)C)c2)cc2nn(C)cc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is RHKFNBPBFDOJOE-CHWSQXEVSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-12(13-6-18(27)21-8-13)28-19-15-11-25(5)24-17(15)7-16(23-19)14-9-22-26(10-14)20(2,3)4/h7,9-13H,6,8H2,1-5H3,(H,21,27)/t12-,13-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 382.47 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 118386410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).