(3S)-3-[(1R)-1-[2-methyl-6-(3H-pyrrol-5-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one

C19H21N3O2 — CID 161401725

IUPAC(3S)-3-[(1R)-1-[2-methyl-6-(3H-pyrrol-5-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one
SMILESC[C@@H](Oc1cc(C2=CCC=N2)cc2nn(C)cc12)[C@H]1CCC(=O)C1
InChIInChI=1S/C19H21N3O2/c1-12(13-5-6-15(23)8-13)24-19-10-14(17-4-3-7-20-17)9-18-16(19)11-22(2)21-18/h4,7,9-13H,3,5-6,8H2,1-2H3/t12-,13+/m1/s1
InChIKeyPBTZOPMJNIUYJD-OLZOCXBDSA-N
MW323.40 g/mol
LogP3.53
Rot. Bonds4

About (3S)-3-[(1R)-1-[2-methyl-6-(3H-pyrrol-5-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one

(3S)-3-[(1R)-1-[2-methyl-6-(3H-pyrrol-5-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one (PubChem CID 161401725) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-[2-methyl-6-(3H-pyrrol-5-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one.

Molecular Properties

Compound Name(3S)-3-[(1R)-1-[2-methyl-6-(3H-pyrrol-5-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one
PubChem CID161401725
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name(3S)-3-[(1R)-1-[2-methyl-6-(3H-pyrrol-5-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one
SMILESC[C@@H](Oc1cc(C2=CCC=N2)cc2nn(C)cc12)[C@H]1CCC(=O)C1
InChIInChI=1S/C19H21N3O2/c1-12(13-5-6-15(23)8-13)24-19-10-14(17-4-3-7-20-17)9-18-16(19)11-22(2)21-18/h4,7,9-13H,3,5-6,8H2,1-2H3/t12-,13+/m1/s1
InChIKeyPBTZOPMJNIUYJD-OLZOCXBDSA-N
XLogP3.53
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S)-3-[(1R)-1-[2-methyl-6-(3H-pyrrol-5-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one with MolForge

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Related Compounds

(3S)-3-[(1R)-1-[6-(1,3-dimethylindazol-5-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one
CID 158833435
3-[2-methyl-4-[(1R)-1-[(1S)-3-oxocyclopentyl]ethoxy]indazol-6-yl]-1H-indazole-5-carbonitrile
CID 149491621
(3R)-3-[(1R)-1-[2-methyl-6-[2-methyl-4-[(1R)-1-[(1S)-3-oxocyclopentyl]ethoxy]pyrazolo[4,3-c]pyridin-6-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one
CID 157497976
(3S)-3-[(1R)-1-[2-methyl-6-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one
CID 160823097
(4R)-4-[(1R)-1-(6-chloro-2-methylindazol-4-yl)oxyethyl]pyrrolidin-2-one
CID 122497073
(4R)-4-[(1R)-1-[6-(3-amino-1-methylindazol-5-yl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one
CID 118401368
(3S)-3-[(1R)-1-[6-[6-(1-fluoroethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one
CID 157450164
(4R)-4-[1-[6-[1-(difluoromethyl)pyrazol-4-yl]-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one
CID 138617661
4-[1-[2-methyl-6-(1-methylindazol-5-yl)indazol-4-yl]oxyethyl]pyrrolidin-2-one
CID 123837301
(3S)-3-[(1R)-1-[6-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one
CID 158598222
(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-[1-[6-(7-chloro-1H-indol-2-yl)-2-methylindazol-4-yl]oxyethyl]pyrrolidin-2-one
CID 118401491

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1R)-1-[2-methyl-6-(3H-pyrrol-5-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one?
The IUPAC name of (3S)-3-[(1R)-1-[2-methyl-6-(3H-pyrrol-5-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one (CID 161401725) is (3S)-3-[(1R)-1-[2-methyl-6-(3H-pyrrol-5-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one.
What is the SMILES notation for (3S)-3-[(1R)-1-[2-methyl-6-(3H-pyrrol-5-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one?
The canonical SMILES for (3S)-3-[(1R)-1-[2-methyl-6-(3H-pyrrol-5-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one is C[C@@H](Oc1cc(C2=CCC=N2)cc2nn(C)cc12)[C@H]1CCC(=O)C1.
What is the InChIKey of (3S)-3-[(1R)-1-[2-methyl-6-(3H-pyrrol-5-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one?
The InChIKey is PBTZOPMJNIUYJD-OLZOCXBDSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-12(13-5-6-15(23)8-13)24-19-10-14(17-4-3-7-20-17)9-18-16(19)11-22(2)21-18/h4,7,9-13H,3,5-6,8H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of (3S)-3-[(1R)-1-[2-methyl-6-(3H-pyrrol-5-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one?
(3S)-3-[(1R)-1-[2-methyl-6-(3H-pyrrol-5-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one has a molecular weight of 323.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1R)-1-[2-methyl-6-(3H-pyrrol-5-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one is sourced from PubChem (CID 161401725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).