(3S)-3-[(1R)-1-[6-[6-(1-fluoroethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one

C21H23FN4O2 — CID 157450164

IUPAC(3S)-3-[(1R)-1-[6-[6-(1-fluoroethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one
SMILESCC(F)c1ccc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CCC(=O)C3)n2)cn1
InChIInChI=1S/C21H23FN4O2/c1-12(22)18-7-5-15(10-23-18)19-9-20-17(11-26(3)25-20)21(24-19)28-13(2)14-4-6-16(27)8-14/h5,7,9-14H,4,6,8H2,1-3H3/t12?,13-,14+/m1/s1
InChIKeyXRUJXFTZPATBHX-IUZLNWEFSA-N
MW382.44 g/mol
LogP4.20
Rot. Bonds5

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

(3S)-3-[(1R)-1-[6-[6-(1-fluoroethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one (PubChem CID 157450164) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-[6-[6-(1-fluoroethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one.

Molecular Properties

Compound Name(3S)-3-[(1R)-1-[6-[6-(1-fluoroethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one
PubChem CID157450164
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name(3S)-3-[(1R)-1-[6-[6-(1-fluoroethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one
SMILESCC(F)c1ccc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CCC(=O)C3)n2)cn1
InChIInChI=1S/C21H23FN4O2/c1-12(22)18-7-5-15(10-23-18)19-9-20-17(11-26(3)25-20)21(24-19)28-13(2)14-4-6-16(27)8-14/h5,7,9-14H,4,6,8H2,1-3H3/t12?,13-,14+/m1/s1
InChIKeyXRUJXFTZPATBHX-IUZLNWEFSA-N
XLogP4.20
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(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-[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-[6-(6-methoxy-3-pyridinyl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 118401297
(4R)-4-[1-[6-[1-(difluoromethyl)imidazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 146943239
(3S)-3-[(1R)-1-[6-[1-(4-fluoro-4-methylcyclohexyl)pyrazol-4-yl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(3S)-3-[(1R)-1-[2-methyl-6-[1-[4-(4-methyl-3-methylidenepiperazin-1-yl)cyclohexyl]pyrazol-4-yl]pyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one;(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 157497974
(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
(3S)-3-[(1R)-1-[6-(1,3-dimethylindazol-5-yl)-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one
CID 158833435
(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-[(1R)-1-(6-chloro-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;2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 162223737
(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
(3S)-3-[(1R)-1-[2-methyl-6-(3H-pyrrol-5-yl)indazol-4-yl]oxyethyl]cyclopentan-1-one
CID 161401725
(3S)-3-[(1R)-1-[2-methyl-6-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]indazol-4-yl]oxyethyl]cyclopentan-1-one
CID 160823097

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1R)-1-[6-[6-(1-fluoroethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?
The IUPAC name of (3S)-3-[(1R)-1-[6-[6-(1-fluoroethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one (CID 157450164) is (3S)-3-[(1R)-1-[6-[6-(1-fluoroethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one.
What is the SMILES notation for (3S)-3-[(1R)-1-[6-[6-(1-fluoroethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?
The canonical SMILES for (3S)-3-[(1R)-1-[6-[6-(1-fluoroethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one is CC(F)c1ccc(-c2cc3nn(C)cc3c(O[C@H](C)[C@H]3CCC(=O)C3)n2)cn1.
What is the InChIKey of (3S)-3-[(1R)-1-[6-[6-(1-fluoroethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?
The InChIKey is XRUJXFTZPATBHX-IUZLNWEFSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-12(22)18-7-5-15(10-23-18)19-9-20-17(11-26(3)25-20)21(24-19)28-13(2)14-4-6-16(27)8-14/h5,7,9-14H,4,6,8H2,1-3H3/t12?,13-,14+/m1/s1.
What are the key properties of (3S)-3-[(1R)-1-[6-[6-(1-fluoroethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one?
(3S)-3-[(1R)-1-[6-[6-(1-fluoroethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one has a molecular weight of 382.44 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1R)-1-[6-[6-(1-fluoroethyl)-3-pyridinyl]-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]cyclopentan-1-one is sourced from PubChem (CID 157450164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).