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

C24H26N6O2 — CID 118401316

IUPAC(4R)-4-[(1R)-1-[2-methyl-6-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCc1nccn1Cc1ccc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cc1
InChIInChI=1S/C24H26N6O2/c1-15(19-10-23(31)26-12-19)32-24-20-14-29(3)28-22(20)11-21(27-24)18-6-4-17(5-7-18)13-30-9-8-25-16(30)2/h4-9,11,14-15,19H,10,12-13H2,1-3H3,(H,26,31)/t15-,19-/m1/s1
InChIKeyMDATXKHXRGKMKJ-DNVCBOLYSA-N
MW430.51 g/mol
LogP3.09
Rot. Bonds6

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

(4R)-4-[(1R)-1-[2-methyl-6-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 118401316) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[2-methyl-6-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[2-methyl-6-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID118401316
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name(4R)-4-[(1R)-1-[2-methyl-6-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCc1nccn1Cc1ccc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cc1
InChIInChI=1S/C24H26N6O2/c1-15(19-10-23(31)26-12-19)32-24-20-14-29(3)28-22(20)11-21(27-24)18-6-4-17(5-7-18)13-30-9-8-25-16(30)2/h4-9,11,14-15,19H,10,12-13H2,1-3H3,(H,26,31)/t15-,19-/m1/s1
InChIKeyMDATXKHXRGKMKJ-DNVCBOLYSA-N
XLogP3.09
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.09
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-[2-methyl-6-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[2-methyl-6-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 118401316) is (4R)-4-[(1R)-1-[2-methyl-6-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[2-methyl-6-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[2-methyl-6-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is Cc1nccn1Cc1ccc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cc1.
What is the InChIKey of (4R)-4-[(1R)-1-[2-methyl-6-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is MDATXKHXRGKMKJ-DNVCBOLYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-15(19-10-23(31)26-12-19)32-24-20-14-29(3)28-22(20)11-21(27-24)18-6-4-17(5-7-18)13-30-9-8-25-16(30)2/h4-9,11,14-15,19H,10,12-13H2,1-3H3,(H,26,31)/t15-,19-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[2-methyl-6-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[2-methyl-6-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 430.51 g/mol, XLogP of 3.09, 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-[2-methyl-6-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 118401316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).