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

C21H27N7O2 — CID 118386423

IUPAC(4R)-4-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1nc(-c2cnn(C3CCNCC3)c2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C21H27N7O2/c1-13(14-7-20(29)23-9-14)30-21-17-12-27(2)26-19(17)8-18(25-21)15-10-24-28(11-15)16-3-5-22-6-4-16/h8,10-14,16,22H,3-7,9H2,1-2H3,(H,23,29)/t13-,14-/m1/s1
InChIKeyFTICWADNPRYZIE-ZIAGYGMSSA-N
MW409.49 g/mol
LogP1.66
Rot. Bonds5

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

(4R)-4-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 118386423) has the molecular formula C21H27N7O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-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-piperidin-4-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID118386423
Molecular FormulaC21H27N7O2
Molecular Weight409.49 g/mol
Exact Mass409.22
IUPAC Name(4R)-4-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1nc(-c2cnn(C3CCNCC3)c2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C21H27N7O2/c1-13(14-7-20(29)23-9-14)30-21-17-12-27(2)26-19(17)8-18(25-21)15-10-24-28(11-15)16-3-5-22-6-4-16/h8,10-14,16,22H,3-7,9H2,1-2H3,(H,23,29)/t13-,14-/m1/s1
InChIKeyFTICWADNPRYZIE-ZIAGYGMSSA-N
XLogP1.66
TPSA98.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (4R)-4-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-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-methyl-6-(1-piperidin-4-ylpyrazol-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-piperidin-4-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 118386423) is (4R)-4-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-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-piperidin-4-ylpyrazol-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-piperidin-4-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1nc(-c2cnn(C3CCNCC3)c2)cc2nn(C)cc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is FTICWADNPRYZIE-ZIAGYGMSSA-N. The full InChI is InChI=1S/C21H27N7O2/c1-13(14-7-20(29)23-9-14)30-21-17-12-27(2)26-19(17)8-18(25-21)15-10-24-28(11-15)16-3-5-22-6-4-16/h8,10-14,16,22H,3-7,9H2,1-2H3,(H,23,29)/t13-,14-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 409.49 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 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-piperidin-4-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 118386423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).