[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone

C19H22FN3O2 — CID 125177108

IUPAC[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
SMILESCn1nc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c2c1CCCC2
InChIInChI=1S/C19H22FN3O2/c1-22-16-5-3-2-4-15(16)18(21-22)19(24)23-10-11-25-17(12-23)13-6-8-14(20)9-7-13/h6-9,17H,2-5,10-12H2,1H3/t17-/m1/s1
InChIKeyNMSYBKWRZXPWLP-QGZVFWFLSA-N
MW343.40 g/mol
LogP2.65
Rot. Bonds2

About [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone

[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone (PubChem CID 125177108) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
PubChem CID125177108
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
SMILESCn1nc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c2c1CCCC2
InChIInChI=1S/C19H22FN3O2/c1-22-16-5-3-2-4-15(16)18(21-22)19(24)23-10-11-25-17(12-23)13-6-8-14(20)9-7-13/h6-9,17H,2-5,10-12H2,1H3/t17-/m1/s1
InChIKeyNMSYBKWRZXPWLP-QGZVFWFLSA-N
XLogP2.65
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone with MolForge

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Related Compounds

[4-(4-fluorophenyl)piperazin-1-yl]-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 110389026
(4-ethylphenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 84545325
(3-aminopyrazin-2-yl)-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 38374250
[2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 47913292
[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-[5-(furan-2-yl)-1,3-oxazol-4-yl]methanone
CID 95627585
[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 94936140
[2-(4-fluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
CID 60958921
(2-phenylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110629813
(2S)-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)morpholine-4-carboxamide
CID 125169503
2-[4-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]morpholin-2-yl]acetic acid
CID 119248759
methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 67353366
1-[4-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]pyrrolidin-2-one
CID 38372185

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone?
The IUPAC name of [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone (CID 125177108) is [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone.
What is the SMILES notation for [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone?
The canonical SMILES for [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone is Cn1nc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c2c1CCCC2.
What is the InChIKey of [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone?
The InChIKey is NMSYBKWRZXPWLP-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-22-16-5-3-2-4-15(16)18(21-22)19(24)23-10-11-25-17(12-23)13-6-8-14(20)9-7-13/h6-9,17H,2-5,10-12H2,1H3/t17-/m1/s1.
What are the key properties of [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone?
[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone has a molecular weight of 343.40 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone is sourced from PubChem (CID 125177108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).