(4R)-4-[(1R)-1-(6-chloro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one

C14H16ClN3O2 — CID 122497073

IUPAC(4R)-4-[(1R)-1-(6-chloro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(Cl)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C14H16ClN3O2/c1-8(9-3-14(19)16-6-9)20-13-5-10(15)4-12-11(13)7-18(2)17-12/h4-5,7-9H,3,6H2,1-2H3,(H,16,19)/t8-,9-/m1/s1
InChIKeyLHTVNBARBMBFRV-RKDXNWHRSA-N
MW293.75 g/mol
LogP2.13
Rot. Bonds3

About (4R)-4-[(1R)-1-(6-chloro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-(6-chloro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one (PubChem CID 122497073) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-(6-chloro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-(6-chloro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one
PubChem CID122497073
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name(4R)-4-[(1R)-1-(6-chloro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(Cl)cc2nn(C)cc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C14H16ClN3O2/c1-8(9-3-14(19)16-6-9)20-13-5-10(15)4-12-11(13)7-18(2)17-12/h4-5,7-9H,3,6H2,1-2H3,(H,16,19)/t8-,9-/m1/s1
InChIKeyLHTVNBARBMBFRV-RKDXNWHRSA-N
XLogP2.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-[1-[6-[1-(difluoromethyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one
CID 138617661
(4R)-4-[1-[6-(7-chloro-1H-indol-2-yl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one
CID 118401491
(4R)-4-[(1R)-1-[6-(3-amino-1-methylindazol-5-yl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one
CID 118401368
4-[1-[2-methyl-6-(1-methylindazol-5-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one
CID 123837301
(4R)-4-[(1R)-1-[2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one
CID 118386415
(4R)-4-[(1R)-1-[2-methyl-6-[4-methyl-2-(3,3,3-trifluoropropyl)-3H-pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one
CID 153222994
(4R)-4-[1-[6-[1-(difluoromethyl)imidazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 146943239
(4R)-4-[1-[2-methyl-6-(1-propan-2-ylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 163491399
(4R)-4-[(1R)-1-[6-(6-methoxy-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 118401297
4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 122512500
(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
(4R)-4-[1-[2-methyl-6-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 138617646

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-(6-chloro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-(6-chloro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one (CID 122497073) is (4R)-4-[(1R)-1-(6-chloro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-(6-chloro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-(6-chloro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1cc(Cl)cc2nn(C)cc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-(6-chloro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one?
The InChIKey is LHTVNBARBMBFRV-RKDXNWHRSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-8(9-3-14(19)16-6-9)20-13-5-10(15)4-12-11(13)7-18(2)17-12/h4-5,7-9H,3,6H2,1-2H3,(H,16,19)/t8-,9-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-(6-chloro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-(6-chloro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one has a molecular weight of 293.75 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-(6-chloro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 122497073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).