(4R)-4-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

C22H26N4O5 — CID 118401299

IUPAC(4R)-4-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cc(OC)c1OC
InChIInChI=1S/C22H26N4O5/c1-12(14-8-20(27)23-10-14)31-22-15-11-26(2)25-17(15)9-16(24-22)13-6-18(28-3)21(30-5)19(7-13)29-4/h6-7,9,11-12,14H,8,10H2,1-5H3,(H,23,27)/t12-,14-/m1/s1
InChIKeyLGKRITHZBJUWLN-TZMCWYRMSA-N
MW426.47 g/mol
LogP2.56
Rot. Bonds7

About (4R)-4-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 118401299) has the molecular formula C22H26N4O5 and a molecular weight of 426.47 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID118401299
Molecular FormulaC22H26N4O5
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Name(4R)-4-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cc(OC)c1OC
InChIInChI=1S/C22H26N4O5/c1-12(14-8-20(27)23-10-14)31-22-15-11-26(2)25-17(15)9-16(24-22)13-6-18(28-3)21(30-5)19(7-13)29-4/h6-7,9,11-12,14H,8,10H2,1-5H3,(H,23,27)/t12-,14-/m1/s1
InChIKeyLGKRITHZBJUWLN-TZMCWYRMSA-N
XLogP2.56
TPSA96.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 52.56
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-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 118401299) is (4R)-4-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is COc1cc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cc(OC)c1OC.
What is the InChIKey of (4R)-4-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is LGKRITHZBJUWLN-TZMCWYRMSA-N. The full InChI is InChI=1S/C22H26N4O5/c1-12(14-8-20(27)23-10-14)31-22-15-11-26(2)25-17(15)9-16(24-22)13-6-18(28-3)21(30-5)19(7-13)29-4/h6-7,9,11-12,14H,8,10H2,1-5H3,(H,23,27)/t12-,14-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 426.47 g/mol, XLogP of 2.56, 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-[2-methyl-6-(3,4,5-trimethoxyphenyl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 118401299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).