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

C21H24N4O4 — CID 118386425

IUPAC(4R)-4-[(1R)-1-[6-(3,4-dimethoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cc1OC
InChIInChI=1S/C21H24N4O4/c1-12(14-8-20(26)22-10-14)29-21-15-11-25(2)24-17(15)9-16(23-21)13-5-6-18(27-3)19(7-13)28-4/h5-7,9,11-12,14H,8,10H2,1-4H3,(H,22,26)/t12-,14-/m1/s1
InChIKeyISPLXDUSVGAMAZ-TZMCWYRMSA-N
MW396.45 g/mol
LogP2.56
Rot. Bonds6

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

(4R)-4-[(1R)-1-[6-(3,4-dimethoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 118386425) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[6-(3,4-dimethoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[6-(3,4-dimethoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID118386425
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name(4R)-4-[(1R)-1-[6-(3,4-dimethoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1ccc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cc1OC
InChIInChI=1S/C21H24N4O4/c1-12(14-8-20(26)22-10-14)29-21-15-11-25(2)24-17(15)9-16(23-21)13-5-6-18(27-3)19(7-13)28-4/h5-7,9,11-12,14H,8,10H2,1-4H3,(H,22,26)/t12-,14-/m1/s1
InChIKeyISPLXDUSVGAMAZ-TZMCWYRMSA-N
XLogP2.56
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.56
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-(3,4-dimethoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[6-(3,4-dimethoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 118386425) is (4R)-4-[(1R)-1-[6-(3,4-dimethoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[6-(3,4-dimethoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[6-(3,4-dimethoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is COc1ccc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cc1OC.
What is the InChIKey of (4R)-4-[(1R)-1-[6-(3,4-dimethoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is ISPLXDUSVGAMAZ-TZMCWYRMSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-12(14-8-20(26)22-10-14)29-21-15-11-25(2)24-17(15)9-16(23-21)13-5-6-18(27-3)19(7-13)28-4/h5-7,9,11-12,14H,8,10H2,1-4H3,(H,22,26)/t12-,14-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[6-(3,4-dimethoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[6-(3,4-dimethoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 396.45 g/mol, XLogP of 2.56, 6 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-(3,4-dimethoxyphenyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 118386425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).