(4R)-4-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

C21H23N5O2 — CID 118386418

IUPAC(4R)-4-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1nc(-c2ccc(C3CC3)nc2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C21H23N5O2/c1-12(15-7-20(27)23-10-15)28-21-16-11-26(2)25-19(16)8-18(24-21)14-5-6-17(22-9-14)13-3-4-13/h5-6,8-9,11-13,15H,3-4,7,10H2,1-2H3,(H,23,27)/t12-,15-/m1/s1
InChIKeyWEAPUKHGRBTBGN-IUODEOHRSA-N
MW377.45 g/mol
LogP2.81
Rot. Bonds5

About (4R)-4-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 118386418) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID118386418
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name(4R)-4-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1nc(-c2ccc(C3CC3)nc2)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C21H23N5O2/c1-12(15-7-20(27)23-10-15)28-21-16-11-26(2)25-19(16)8-18(24-21)14-5-6-17(22-9-14)13-3-4-13/h5-6,8-9,11-13,15H,3-4,7,10H2,1-2H3,(H,23,27)/t12-,15-/m1/s1
InChIKeyWEAPUKHGRBTBGN-IUODEOHRSA-N
XLogP2.81
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 118386418) is (4R)-4-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1nc(-c2ccc(C3CC3)nc2)cc2nn(C)cc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is WEAPUKHGRBTBGN-IUODEOHRSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-12(15-7-20(27)23-10-15)28-21-16-11-26(2)25-19(16)8-18(24-21)14-5-6-17(22-9-14)13-3-4-13/h5-6,8-9,11-13,15H,3-4,7,10H2,1-2H3,(H,23,27)/t12-,15-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 377.45 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[6-(6-cyclopropyl-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 118386418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).