(3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one

C21H23FN4O2 — CID 147711085

IUPAC(3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one
SMILESC[C@@H](Oc1cc(-c2cnn(C3CC3)c2)cc2nn(C)c(F)c12)[C@H]1CCC(=O)C1
InChIInChI=1S/C21H23FN4O2/c1-12(13-3-6-17(27)7-13)28-19-9-14(8-18-20(19)21(22)25(2)24-18)15-10-23-26(11-15)16-4-5-16/h8-13,16H,3-7H2,1-2H3/t12-,13+/m1/s1
InChIKeyGUSJCFXJRSEATH-OLZOCXBDSA-N
MW382.44 g/mol
LogP4.05
Rot. Bonds5

About (3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one

(3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one (PubChem CID 147711085) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one.

Molecular Properties

Compound Name(3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one
PubChem CID147711085
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name(3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one
SMILESC[C@@H](Oc1cc(-c2cnn(C3CC3)c2)cc2nn(C)c(F)c12)[C@H]1CCC(=O)C1
InChIInChI=1S/C21H23FN4O2/c1-12(13-3-6-17(27)7-13)28-19-9-14(8-18-20(19)21(22)25(2)24-18)15-10-23-26(11-15)16-4-5-16/h8-13,16H,3-7H2,1-2H3/t12-,13+/m1/s1
InChIKeyGUSJCFXJRSEATH-OLZOCXBDSA-N
XLogP4.05
TPSA61.94 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 ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US9914735, Example 41
CID 118401365
US10155751, Example 1
CID 126664227
US9914735, Example 40
CID 118401366
US10155751, Example 11
CID 126664229
US10155751, Example 12
CID 126664269
US10155751, Example 2
CID 126681027
US10155751, Example 5
CID 126681030
US10155751, Example 6
CID 126681031
US10155751, Example 7
CID 126681032
US10155751, Example 14
CID 126681035
US10155751, Example 22
CID 126681042
US10947243, Example 15
CID 156156694

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one?
The IUPAC name of (3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one (CID 147711085) is (3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one.
What is the SMILES notation for (3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one?
The canonical SMILES for (3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one is C[C@@H](Oc1cc(-c2cnn(C3CC3)c2)cc2nn(C)c(F)c12)[C@H]1CCC(=O)C1.
What is the InChIKey of (3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one?
The InChIKey is GUSJCFXJRSEATH-OLZOCXBDSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-12(13-3-6-17(27)7-13)28-19-9-14(8-18-20(19)21(22)25(2)24-18)15-10-23-26(11-15)16-4-5-16/h8-13,16H,3-7H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of (3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one?
(3S)-3-[(1R)-1-[6-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one has a molecular weight of 382.44 g/mol, XLogP of 4.05, 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-(1-cyclopropylpyrazol-4-yl)-3-fluoro-2-methylindazol-4-yl]oxyethyl]cyclopentan-1-one is sourced from PubChem (CID 147711085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).