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

C22H29N7O2 — CID 118386408

IUPAC(4R)-4-[(1R)-1-[2-methyl-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1nc(-c2cnn(C3CCN(C)CC3)c2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C22H29N7O2/c1-14(15-8-21(30)23-10-15)31-22-18-13-28(3)26-20(18)9-19(25-22)16-11-24-29(12-16)17-4-6-27(2)7-5-17/h9,11-15,17H,4-8,10H2,1-3H3,(H,23,30)/t14-,15-/m1/s1
InChIKeySOZYLNJHKPRDST-HUUCEWRRSA-N
MW423.52 g/mol
LogP2.00
Rot. Bonds5

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

(4R)-4-[(1R)-1-[2-methyl-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 118386408) has the molecular formula C22H29N7O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[2-methyl-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[2-methyl-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID118386408
Molecular FormulaC22H29N7O2
Molecular Weight423.52 g/mol
Exact Mass423.24
IUPAC Name(4R)-4-[(1R)-1-[2-methyl-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1nc(-c2cnn(C3CCN(C)CC3)c2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C22H29N7O2/c1-14(15-8-21(30)23-10-15)31-22-18-13-28(3)26-20(18)9-19(25-22)16-11-24-29(12-16)17-4-6-27(2)7-5-17/h9,11-15,17H,4-8,10H2,1-3H3,(H,23,30)/t14-,15-/m1/s1
InChIKeySOZYLNJHKPRDST-HUUCEWRRSA-N
XLogP2.00
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.00
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-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[2-methyl-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 118386408) is (4R)-4-[(1R)-1-[2-methyl-6-[1-(1-methylpiperidin-4-yl)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-methyl-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[2-methyl-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1nc(-c2cnn(C3CCN(C)CC3)c2)cc2nn(C)cc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[2-methyl-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is SOZYLNJHKPRDST-HUUCEWRRSA-N. The full InChI is InChI=1S/C22H29N7O2/c1-14(15-8-21(30)23-10-15)31-22-18-13-28(3)26-20(18)9-19(25-22)16-11-24-29(12-16)17-4-6-27(2)7-5-17/h9,11-15,17H,4-8,10H2,1-3H3,(H,23,30)/t14-,15-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[2-methyl-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[2-methyl-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 423.52 g/mol, XLogP of 2.00, 5 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-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 118386408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).