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

C19H24N6O3 — CID 118401292

IUPAC(4R)-4-[(1R)-1-[6-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCOCCn1cc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cn1
InChIInChI=1S/C19H24N6O3/c1-12(13-6-18(26)20-8-13)28-19-15-11-24(2)23-17(15)7-16(22-19)14-9-21-25(10-14)4-5-27-3/h7,9-13H,4-6,8H2,1-3H3,(H,20,26)/t12-,13-/m1/s1
InChIKeyWUFIEFKIKBUYOP-CHWSQXEVSA-N
MW384.44 g/mol
LogP1.38
Rot. Bonds7

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

(4R)-4-[(1R)-1-[6-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 118401292) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[6-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[6-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID118401292
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name(4R)-4-[(1R)-1-[6-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCOCCn1cc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cn1
InChIInChI=1S/C19H24N6O3/c1-12(13-6-18(26)20-8-13)28-19-15-11-24(2)23-17(15)7-16(22-19)14-9-21-25(10-14)4-5-27-3/h7,9-13H,4-6,8H2,1-3H3,(H,20,26)/t12-,13-/m1/s1
InChIKeyWUFIEFKIKBUYOP-CHWSQXEVSA-N
XLogP1.38
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[6-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[6-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 118401292) is (4R)-4-[(1R)-1-[6-[1-(2-methoxyethyl)pyrazol-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-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[6-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is COCCn1cc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cn1.
What is the InChIKey of (4R)-4-[(1R)-1-[6-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is WUFIEFKIKBUYOP-CHWSQXEVSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-12(13-6-18(26)20-8-13)28-19-15-11-24(2)23-17(15)7-16(22-19)14-9-21-25(10-14)4-5-27-3/h7,9-13H,4-6,8H2,1-3H3,(H,20,26)/t12-,13-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[6-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[6-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 384.44 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[6-[1-(2-methoxyethyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 118401292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).