(2R)-6-fluoro-2-[1-[5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-2,3-dihydrochromen-4-one

C22H21FN4O4 — CID 95798797

IUPAC(2R)-6-fluoro-2-[1-[5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-2,3-dihydrochromen-4-one
SMILESCn1cc(-c2cc(C(=O)N3CCC([C@H]4CC(=O)c5cc(F)ccc5O4)CC3)no2)cn1
InChIInChI=1S/C22H21FN4O4/c1-26-12-14(11-24-26)21-9-17(25-31-21)22(29)27-6-4-13(5-7-27)20-10-18(28)16-8-15(23)2-3-19(16)30-20/h2-3,8-9,11-13,20H,4-7,10H2,1H3/t20-/m1/s1
InChIKeyAVQJTRCGRTUCPA-HXUWFJFHSA-N
MW424.43 g/mol
LogP3.10
Rot. Bonds3

About (2R)-6-fluoro-2-[1-[5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-2,3-dihydrochromen-4-one

(2R)-6-fluoro-2-[1-[5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-2,3-dihydrochromen-4-one (PubChem CID 95798797) has the molecular formula C22H21FN4O4 and a molecular weight of 424.43 g/mol. Its IUPAC name is (2R)-6-fluoro-2-[1-[5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2R)-6-fluoro-2-[1-[5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-2,3-dihydrochromen-4-one
PubChem CID95798797
Molecular FormulaC22H21FN4O4
Molecular Weight424.43 g/mol
Exact Mass424.15
IUPAC Name(2R)-6-fluoro-2-[1-[5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-2,3-dihydrochromen-4-one
SMILESCn1cc(-c2cc(C(=O)N3CCC([C@H]4CC(=O)c5cc(F)ccc5O4)CC3)no2)cn1
InChIInChI=1S/C22H21FN4O4/c1-26-12-14(11-24-26)21-9-17(25-31-21)22(29)27-6-4-13(5-7-27)20-10-18(28)16-8-15(23)2-3-19(16)30-20/h2-3,8-9,11-13,20H,4-7,10H2,1H3/t20-/m1/s1
InChIKeyAVQJTRCGRTUCPA-HXUWFJFHSA-N
XLogP3.10
TPSA90.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2R)-6-fluoro-2-[1-[5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-2,3-dihydrochromen-4-one with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[1-[5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-2,3-dihydrochromen-4-one
CID 51588006
6-fluoro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one
CID 114672192
2-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]-2,3-dihydrochromen-4-one
CID 110214930
6-fluoro-2-(3-methylcyclohexyl)-2,3-dihydrochromen-4-one
CID 114672162
2-cyclopropyl-7-fluoro-2,3-dihydrochromen-4-one
CID 114674627
[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(3,4-difluorophenyl)piperidin-1-yl]methanone
CID 146230214
[5-(4-methylphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 1093778
[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-[5-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]methanone
CID 124980948
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-[(4S,5S)-4-hydroxy-5-morpholin-4-ylazepan-1-yl]methanone
CID 110164372
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 140621760
7-fluoro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one
CID 114674787
(2S)-6-fluoro-4-oxo-2,3-dihydrochromene-2-carboxylic acid
CID 10130516

Frequently Asked Questions

What is the IUPAC name of (2R)-6-fluoro-2-[1-[5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-2,3-dihydrochromen-4-one?
The IUPAC name of (2R)-6-fluoro-2-[1-[5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-2,3-dihydrochromen-4-one (CID 95798797) is (2R)-6-fluoro-2-[1-[5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2R)-6-fluoro-2-[1-[5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-2,3-dihydrochromen-4-one?
The canonical SMILES for (2R)-6-fluoro-2-[1-[5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-2,3-dihydrochromen-4-one is Cn1cc(-c2cc(C(=O)N3CCC([C@H]4CC(=O)c5cc(F)ccc5O4)CC3)no2)cn1.
What is the InChIKey of (2R)-6-fluoro-2-[1-[5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-2,3-dihydrochromen-4-one?
The InChIKey is AVQJTRCGRTUCPA-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H21FN4O4/c1-26-12-14(11-24-26)21-9-17(25-31-21)22(29)27-6-4-13(5-7-27)20-10-18(28)16-8-15(23)2-3-19(16)30-20/h2-3,8-9,11-13,20H,4-7,10H2,1H3/t20-/m1/s1.
What are the key properties of (2R)-6-fluoro-2-[1-[5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-2,3-dihydrochromen-4-one?
(2R)-6-fluoro-2-[1-[5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-2,3-dihydrochromen-4-one has a molecular weight of 424.43 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-fluoro-2-[1-[5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-2,3-dihydrochromen-4-one is sourced from PubChem (CID 95798797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).