(4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

C21H28N6O2 — CID 134558242

IUPAC(4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCc1c2c(O[C@H](C)[C@H]3CNC(=O)C3)nc(-c3cnn(CC(C)C)c3)cc2nn1C
InChIInChI=1S/C21H28N6O2/c1-12(2)10-27-11-16(9-23-27)17-7-18-20(13(3)26(5)25-18)21(24-17)29-14(4)15-6-19(28)22-8-15/h7,9,11-12,14-15H,6,8,10H2,1-5H3,(H,22,28)/t14-,15-/m1/s1
InChIKeyKEOVPSIGCJIQIG-HUUCEWRRSA-N
MW396.50 g/mol
LogP2.70
Rot. Bonds6

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

(4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 134558242) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID134558242
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC Name(4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCc1c2c(O[C@H](C)[C@H]3CNC(=O)C3)nc(-c3cnn(CC(C)C)c3)cc2nn1C
InChIInChI=1S/C21H28N6O2/c1-12(2)10-27-11-16(9-23-27)17-7-18-20(13(3)26(5)25-18)21(24-17)29-14(4)15-6-19(28)22-8-15/h7,9,11-12,14-15H,6,8,10H2,1-5H3,(H,22,28)/t14-,15-/m1/s1
InChIKeyKEOVPSIGCJIQIG-HUUCEWRRSA-N
XLogP2.70
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 134558242) is (4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is Cc1c2c(O[C@H](C)[C@H]3CNC(=O)C3)nc(-c3cnn(CC(C)C)c3)cc2nn1C.
What is the InChIKey of (4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is KEOVPSIGCJIQIG-HUUCEWRRSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-12(2)10-27-11-16(9-23-27)17-7-18-20(13(3)26(5)25-18)21(24-17)29-14(4)15-6-19(28)22-8-15/h7,9,11-12,14-15H,6,8,10H2,1-5H3,(H,22,28)/t14-,15-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 396.50 g/mol, XLogP of 2.70, 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-[2,3-dimethyl-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 134558242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).